2-(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylethanoic acid Openeye Name: 2-(4-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-1,5-diphenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N4O3S/c24-16(25)12-27-19-21-17-15(11-20-23(17)14-9-5-2-6-10-14)18(26)22(19)13-7-3-1-4-8-13/h1-11H,12H2,(H,24,25)