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

Systemtic Name: methyl 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC

InChI

InChI=1S/C15H14N4O2S/c1-10-5-3-4-6-12(10)19-14-11(7-18-19)15(17-9-16-14)22-8-13(20)21-2/h3-7,9H,8H2,1-2H3