2-[[5-(3-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[5-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[5-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[5-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[5-(3-chlorophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-6-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=CC2=NC(=CC(=O)N12)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC(=CC=C5)Cl

InChI

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