N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-bromophenyl)piperazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-bromophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-bromophenyl)piperazine-1-carboxamide Formula: C25H28BrN5O MolecularWeight: 494.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN5O/c1-3-23-22(16-19-8-5-4-6-9-19)24(28-18(2)27-23)30-12-14-31(15-13-30)25(32)29-21-11-7-10-20(26)17-21/h4-11,17H,3,12-16H2,1-2H3,(H,29,32)