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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-4-quinolyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C17H18N6OS MolecularWeight: 354.42942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H18N6OS/c1-10-8-13(11-4-2-3-5-12(11)20-10)21-16(24)6-7-25-17-22-14(18)9-15(19)23-17/h2-5,8-9H,6-7H2,1H3,(H,20,21,24)(H4,18,19,22,23)