ethyl 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)C

InChI

InChI=1S/C16H16N4O2S/c1-3-22-14(21)9-23-16-13-8-19-20(15(13)17-10-18-16)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3