[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C20H30N4O4S/c1-12-7-5-6-8-16(12)23-19(27)24-17(25)11-28-18(26)10-9-15-13(2)21-20(29-4)22-14(15)3/h12,16H,5-11H2,1-4H3,(H2,23,24,25,27)