2-[[1-(2-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(2-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[1-(o-tolyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetic acid CAS Name: 2-[[1-(2-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid IUPAC Name: 2-[[1-(2-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-1-(o-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)O

InChI

InChI=1S/C14H12N4O3S/c1-8-4-2-3-5-10(8)18-12-9(6-15-18)13(21)17-14(16-12)22-7-11(19)20/h2-6,15H,7H2,1H3,(H,19,20)