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

Systemtic Name: 2-[[5-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[5-(o-tolyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-keto-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-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=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=CC=CC5=N4

InChI

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