methyl 2-[2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H11BrN2O4S2 MolecularWeight: 403.27144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H11BrN2O4S2/c1-20-12(19)5-7-4-11(18)16-13(15-7)21-6-8(17)9-2-3-10(14)22-9/h2-4H,5-6H2,1H3,(H,15,16,18)