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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[2-(2-thenylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H19N3O4S3 MolecularWeight: 413.53476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C16H19N3O4S3/c1-23-15(22)8-11-7-13(20)19-16(18-11)26-10-14(21)17-4-6-24-9-12-3-2-5-25-12/h2-3,5,7H,4,6,8-10H2,1H3,(H,17,21)(H,18,19,20)