methyl 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c1-26-20(25)15-7-5-6-14(10-15)12-27-19-17-11-23-24(18(17)21-13-22-19)16-8-3-2-4-9-16/h2-11,13H,12H2,1H3