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

Systemtic Name: 5-(3,4-dimethylphenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-6-(phenacylthio)-1H-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)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4)C

InChI

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