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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(benzylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(benzylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(benzylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N4O5S/c1-26-15(24)8-12-7-13(22)21-17(19-12)27-10-14(23)20-16(25)18-9-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3,(H,19,21,22)(H2,18,20,23,25)