methyl 3-[2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: methyl 3-[2-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-[[2-(2-bromoanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[2-[[2-(2-bromoanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid methyl ester Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2Br)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2Br)CCC(=O)OC

InChI

InChI=1S/C17H18BrN3O4S/c1-10-11(7-8-15(23)25-2)16(24)21-17(19-10)26-9-14(22)20-13-6-4-3-5-12(13)18/h3-6H,7-9H2,1-2H3,(H,20,22)(H,19,21,24)