N-(2-bromanyl-4-propan-2-yl-phenyl)-N-ethyl-4-methyl-6-[4-(phenylmethylidene)piperidin-1-yl]pyrimidin-2-amine hydrochloride

Systemtic Name: N-(2-bromanyl-4-propan-2-yl-phenyl)-N-ethyl-4-methyl-6-[4-(phenylmethylidene)piperidin-1-yl]pyrimidin-2-amine hydrochloride Openeye Name: 4-(4-benzylidene-1-piperidyl)-N-(2-bromo-4-isopropyl-phenyl)-N-ethyl-6-methyl-pyrimidin-2-amine hydrochloride CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[4-(phenylmethylene)-1-piperidinyl]-2-pyrimidinamine hydrochloride IUPAC Name: 4-(4-benzylidenepiperidin-1-yl)-N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-6-methylpyrimidin-2-amine hydrochloride Traditional Name: [4-(4-benzalpiperidino)-6-methyl-pyrimidin-2-yl]-(2-bromo-4-isopropyl-phenyl)-ethyl-amine hydrochloride Formula: C28H34BrClN4 MolecularWeight: 541.95336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)N3CCC(=CC4=CC=CC=C4)CC3)C.Cl

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)N3CCC(=CC4=CC=CC=C4)CC3)C.Cl

InChI

InChI=1S/C28H33BrN4.ClH/c1-5-33(26-12-11-24(20(2)3)19-25(26)29)28-30-21(4)17-27(31-28)32-15-13-23(14-16-32)18-22-9-7-6-8-10-22;/h6-12,17-20H,5,13-16H2,1-4H3;1H