3-[2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H15BrClN3O4S MolecularWeight: 460.73

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)Br)Cl)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)Br)Cl)CCC(=O)O

InChI

InChI=1S/C16H15BrClN3O4S/c1-8-10(3-5-14(23)24)15(25)21-16(19-8)26-7-13(22)20-12-4-2-9(17)6-11(12)18/h2,4,6H,3,5,7H2,1H3,(H,20,22)(H,23,24)(H,19,21,25)