3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,3-dimethylphenyl)propionamide Formula: C15H19N5OS MolecularWeight: 317.40926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C15H19N5OS/c1-9-4-3-5-11(10(9)2)18-14(21)6-7-22-15-19-12(16)8-13(17)20-15/h3-5,8H,6-7H2,1-2H3,(H,18,21)(H4,16,17,19,20)