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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2S/c1-13-8-9-16(10-14(13)2)25-19-17(11-22-25)20(27)24-21(23-19)28-12-18(26)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3