3-cyclopentyl-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C22H21N4O2S+ MolecularWeight: 405.49274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C22H20N4O2S/c27-20-13-15(23-19-11-5-6-12-25(19)20)14-29-22-24-18-10-4-3-9-17(18)21(28)26(22)16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2/p+1