2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl benzoate

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl benzoate Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl ester IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCOC(=O)C3=CC=CC=C3

InChI

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