1-(4-methylphenyl)-6-(quinolin-8-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-methylphenyl)-6-(quinolin-8-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(p-tolyl)-6-(8-quinolylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(8-quinolinylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-(quinolin-8-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(p-tolyl)-6-(8-quinolylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C22H17N5OS/c1-14-7-9-17(10-8-14)27-20-18(12-24-27)21(28)26-22(25-20)29-13-16-5-2-4-15-6-3-11-23-19(15)16/h2-12,24H,13H2,1H3