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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C14H17N5OS MolecularWeight: 303.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c1-9-2-4-10(5-3-9)17-13(20)6-7-21-14-18-11(15)8-12(16)19-14/h2-5,8H,6-7H2,1H3,(H,17,20)(H4,15,16,18,19)