2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-(cyclopropylamino)-2-quinazolinyl]thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-(cyclopropylamino)quinazolin-2-yl]thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)C=C1

InChI

InChI=1S/C21H19N5OS/c1-13-6-9-18-22-15(10-19(27)26(18)11-13)12-28-21-24-17-5-3-2-4-16(17)20(25-21)23-14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,23,24,25)