Compound 14
  CheckMol                        TMF02:r0:m0
MF=C10H19N5S MW=241.35
 16 16  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4931   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2916    0.7702   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -2.2396   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2798   -2.2278   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3390   -3.7327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2679   -3.7208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4674   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6544   -4.4674   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596   -4.4555   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697   -3.7090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -5.9486   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9815   -2.1922   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2850   -4.4437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -6.6833   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -6.6833   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2D Structure

Prometryn

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Chemical Name - Prometryn
Mol Weight - 241.362
Smiles - CC(C)Nc1nc(SC)nc(NC(C)C)n1

Property Name	Property Value
Mol Name	Prometryn
Molweight	241.362
Monoisotopic Mass	241.136115
Clogp	2.2562
Clogs	-3.624
H Acceptors	5
H Donors	2
Total Surface Area	196.25
Relative Psa	0.37361
Polar Surface Area	88.03
Druglikeness	0.92514
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.5625
Molecular Flexibility	0.46279
Molecular Complexity	0.59413
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	7
Aromatic Nitrogens	3
Smiles	CC(C)Nc1nc(SC)nc(NC(C)C)n1
InChIKey	InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChI	AAEVYOVXGOFMJO-UHFFFAOYSA-N

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1 — Prometryn | 2 — Prometryn