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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC(=O)NC2CCCC2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC(=O)NC2CCCC2

InChI

InChI=1S/C18H26N4O4S/c1-11-14(12(2)20-18(19-11)27-3)8-9-16(24)26-10-15(23)22-17(25)21-13-6-4-5-7-13/h13H,4-10H2,1-3H3,(H2,21,22,23,25)