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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-piperonyl-quinazolin-4-one Formula: C25H19N4O4S+ MolecularWeight: 471.50776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=O)[N+]6=CC=CC=C6N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=O)[N+]6=CC=CC=C6N5

InChI

InChI=1S/C25H18N4O4S/c30-23-12-17(26-22-7-3-4-10-28(22)23)14-34-25-27-19-6-2-1-5-18(19)24(31)29(25)13-16-8-9-20-21(11-16)33-15-32-20/h1-12H,13-15H2/p+1