(phenylmethyl) 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid benzyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c25-18(26-12-15-7-3-1-4-8-15)13-27-20-17-11-23-24(19(17)21-14-22-20)16-9-5-2-6-10-16/h1-11,14H,12-13H2