5-(2-methylphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-methylphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(o-tolyl)-6-(3-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methylphenyl)-6-(3-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-methylphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(o-tolyl)-6-(3-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12-5-2-3-7-15(12)23-17(24)14-10-20-22-16(14)21-18(23)25-11-13-6-4-8-19-9-13/h2-10H,11H2,1H3,(H,20,22)