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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC)C

InChI

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