methyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzoic acid methyl ester Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3

InChI

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