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

Systemtic Name: 3-[2-[(4-bromophenyl)amino]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 3-[2-(4-bromoanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 3-[2-(4-bromoanilino)-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C14H18BrN3O3 MolecularWeight: 356.21502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O3/c1-8-11(6-7-12(19)20)13(21)18-14(16-8)17-10-4-2-9(15)3-5-10/h2-5,8,11,14,16-17H,6-7H2,1H3,(H,18,21)(H,19,20)