N6-(2-bromophenyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-bromophenyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Openeye Name: N6-(2-bromophenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidyl)pyrimidine-4,6-diamine CAS Name: N6-(2-bromophenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-bromophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Traditional Name: [6-(2-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2,2,6,6-tetramethyl-4-piperidyl)amine Formula: C19H25BrN6O2 MolecularWeight: 449.3448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Br)C

InChI

InChI=1S/C19H25BrN6O2/c1-18(2)9-12(10-19(3,4)25-18)23-16-15(26(27)28)17(22-11-21-16)24-14-8-6-5-7-13(14)20/h5-8,11-12,25H,9-10H2,1-4H3,(H2,21,22,23,24)