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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=S)NC(=O)C3=CN2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=S)NC(=O)C3=CN2)C

InChI

InChI=1S/C13H12N4OS/c1-7-3-4-9(5-8(7)2)17-11-10(6-14-17)12(18)16-13(19)15-11/h3-6,14H,1-2H3,(H,16,18,19)