2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(6-oxo-9-phenyl-3H-purin-8-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(6-keto-9-phenyl-3H-purin-8-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H15N6O2S+ MolecularWeight: 403.4371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C20H14N6O2S/c27-16-10-13(23-15-8-4-5-9-25(15)16)11-29-20-24-17-18(21-12-22-19(17)28)26(20)14-6-2-1-3-7-14/h1-10,12H,11H2,(H,21,22,28)/p+1