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

Systemtic Name: 7-chloranyl-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-chloro-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-chloro-2-[[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-chloro-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-chloro-2-[[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H15ClN6O2S MolecularWeight: 450.9008

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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=C(C=CC5=N4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6O2S/c1-12-2-5-15(6-3-12)28-19-18(20(30)24-11-23-19)26-21(28)31-10-14-8-17(29)27-9-13(22)4-7-16(27)25-14/h2-9,11H,10H2,1H3,(H,23,24,30)