[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c30-24(27-21-14-8-3-9-15-21)17-32-25(31)18-33-26-28-22(19-10-4-1-5-11-19)16-23(29-26)20-12-6-2-7-13-20/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2,(H,27,30)