methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylcarbamoyl]cyclohexanecarboxylate CAS Name: 2-[[2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: 2-[2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]ethylcarbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3CCCCC3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3CCCCC3C(=O)OC)OC

InChI

InChI=1S/C24H31N3O5S/c1-30-19-15-20(31-2)27-22(26-19)21(16-9-5-4-6-10-16)33-14-13-25-23(28)17-11-7-8-12-18(17)24(29)32-3/h4-6,9-10,15,17-18,21H,7-8,11-14H2,1-3H3,(H,25,28)