methyl 2-[2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C16H22N4O5S/c1-25-14(23)8-11-7-12(21)20-16(18-11)26-9-13(22)19-15(24)17-10-5-3-2-4-6-10/h7,10H,2-6,8-9H2,1H3,(H,18,20,21)(H2,17,19,22,24)