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

Systemtic Name: methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-20-12(19)8-21-14-11-7-17-18(13(11)15-9-16-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3