7-chloranyl-2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-chloranyl-2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-chloro-2-[[2-(2-furyl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-chloro-2-[[[2-(2-furanyl)-4-quinazolinyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-chloro-2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-chloro-2-[[[2-(2-furyl)quinazolin-4-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H14ClN4O2S+ MolecularWeight: 421.87946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CO3)SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CO3)SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H13ClN4O2S/c22-13-7-8-18-23-14(10-19(27)26(18)11-13)12-29-21-15-4-1-2-5-16(15)24-20(25-21)17-6-3-9-28-17/h1-11H,12H2/p+1