N-(2-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide Formula: C24H26BrN5O MolecularWeight: 480.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)CC4=CC=CC=C4

InChI

InChI=1S/C24H26BrN5O/c1-17-20(16-19-8-4-3-5-9-19)23(27-18(2)26-17)29-12-14-30(15-13-29)24(31)28-22-11-7-6-10-21(22)25/h3-11H,12-16H2,1-2H3,(H,28,31)