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

Systemtic Name: 5-(3,4-dimethylphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-6-(3-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-6-(3-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-6-(3-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4)C

InChI

InChI=1S/C19H17N5OS/c1-12-5-6-15(8-13(12)2)24-18(25)16-10-21-23-17(16)22-19(24)26-11-14-4-3-7-20-9-14/h3-10H,11H2,1-2H3,(H,21,23)