3-[2-[(4-bromophenyl)amino]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-[(4-bromophenyl)amino]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-hexahydropyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]-2-methylpropanoic acid Traditional Name: 3-[2-(4-bromoanilino)-4-keto-6-methyl-hexahydropyrimidin-5-yl]-2-methyl-propionic acid Formula: C15H20BrN3O3 MolecularWeight: 370.2416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)Br)CC(C)C(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)Br)CC(C)C(=O)O

InChI

InChI=1S/C15H20BrN3O3/c1-8(14(21)22)7-12-9(2)17-15(19-13(12)20)18-11-5-3-10(16)4-6-11/h3-6,8-9,12,15,17-18H,7H2,1-2H3,(H,19,20)(H,21,22)