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

Systemtic Name: cyclohexyl 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid cyclohexyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C20H22N4O3S/c1-26-15-9-7-14(8-10-15)24-19-17(11-23-24)20(22-13-21-19)28-12-18(25)27-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3