methyl (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate CAS Name: (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate Traditional Name: (4R,5R,6R)-2-[2-(4-bromophenyl)ethylamino]-1-ethyl-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H28BrN3O2 MolecularWeight: 458.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C(N=C1NCCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1[C@@H]([C@H]([C@@H](N=C1NCCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H28BrN3O2/c1-4-27-16(2)20(22(28)29-3)21(18-8-6-5-7-9-18)26-23(27)25-15-14-17-10-12-19(24)13-11-17/h5-13,16,20-21H,4,14-15H2,1-3H3,(H,25,26)/t16-,20-,21+/m1/s1