5-(3-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(m-tolyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(m-tolyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CNNC3=NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CNNC3=NC2=S

InChI

InChI=1S/C12H10N4OS/c1-7-3-2-4-8(5-7)16-11(17)9-6-13-15-10(9)14-12(16)18/h2-6H,1H3,(H2,13,14,15,18)