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

Systemtic Name: 5-(4-methoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-methoxyphenyl)-6-(3-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-methoxyphenyl)-6-(3-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-methoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-methoxyphenyl)-6-(3-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CN=CC=C4

InChI

InChI=1S/C18H15N5O2S/c1-25-14-6-4-13(5-7-14)23-17(24)15-10-20-22-16(15)21-18(23)26-11-12-3-2-8-19-9-12/h2-10H,11H2,1H3,(H,20,22)