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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(isopropylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C13H18N4O5S/c1-7(2)14-12(21)16-10(19)6-23-13-15-8(4-9(18)17-13)5-11(20)22-3/h4,7H,5-6H2,1-3H3,(H,15,17,18)(H2,14,16,19,21)