2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C21H20N4O2S/c1-3-10-24-20(27)16-6-4-5-7-17(16)23-21(24)28-13-15-11-19(26)25-12-14(2)8-9-18(25)22-15/h4-9,11-12H,3,10,13H2,1-2H3/p+1