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

Systemtic Name: cyclohexyl 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-14-7-5-6-10-17(14)24-19-16(11-23-24)20(22-13-21-19)27-12-18(25)26-15-8-3-2-4-9-15/h5-7,10-11,13,15H,2-4,8-9,12H2,1H3