(3-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-(3-bromophenyl)methanone Formula: C25H27BrN4O MolecularWeight: 479.41208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN4O/c1-3-23-22(16-19-8-5-4-6-9-19)24(28-18(2)27-23)29-12-14-30(15-13-29)25(31)20-10-7-11-21(26)17-20/h4-11,17H,3,12-16H2,1-2H3