2-(4-methoxyphenyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 2-(4-methoxyphenyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 2-(4-methoxyphenyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one CAS Name: 2-(4-methoxyphenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 2-(4-methoxyphenyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 2-(4-methoxyphenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3N2)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3N2)SC

InChI

InChI=1S/C13H12N4O2S/c1-19-9-5-3-8(4-6-9)17-12(18)10-7-14-13(20-2)15-11(10)16-17/h3-7H,1-2H3,(H,14,15,16)