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

Systemtic Name: 2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C21H16N6O2S/c1-13-5-7-15(8-6-13)27-19-18(20(29)23-12-22-19)25-21(27)30-11-14-10-17(28)26-9-3-2-4-16(26)24-14/h2-10,12H,11H2,1H3,(H,22,23,29)