(phenylmethyl) 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid benzyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C14H12N4O3S/c19-11(21-7-9-4-2-1-3-5-9)8-22-14-16-12-10(6-15-18-12)13(20)17-14/h1-6H,7-8H2,(H2,15,16,17,18,20)