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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[2-(phenylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4S2/c1-24-16(23)10-12-9-14(21)20-17(19-12)26-11-15(22)18-7-8-25-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,22)(H,19,20,21)