[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H27N3O3S MolecularWeight: 365.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H27N3O3S/c1-11-6-5-7-15(14(11)4)21-16(22)9-24-17(23)10-25-18-19-12(2)8-13(3)20-18/h8,11,14-15H,5-7,9-10H2,1-4H3,(H,21,22)