[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CSC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CSC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C15H22N4O4S/c1-4-5-6-16-14(22)19-12(20)8-23-13(21)9-24-15-17-10(2)7-11(3)18-15/h7H,4-6,8-9H2,1-3H3,(H2,16,19,20,22)