methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-4-oxo-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C24H19N4O5S+ MolecularWeight: 475.49646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3)CC5=CC=CO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3)CC5=CC=CO5

InChI

InChI=1S/C24H18N4O5S/c1-32-23(31)15-7-8-18-19(11-15)26-24(28(22(18)30)13-17-5-4-10-33-17)34-14-16-12-21(29)27-9-3-2-6-20(27)25-16/h2-12H,13-14H2,1H3/p+1