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

Systemtic Name: methyl 2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O2S/c1-21-13(20)9-22-15-12-7-18-19(14(12)16-10-17-15)8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3