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

Systemtic Name: 3-[2-[1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-9-4-6-14(13(19)8-9)21-16(25)11(3)27-18-20-10(2)12(17(26)22-18)5-7-15(23)24/h4,6,8,11H,5,7H2,1-3H3,(H,21,25)(H,23,24)(H,20,22,26)