1-(4-bromophenyl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-bromophenyl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-bromophenyl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-bromophenyl)-4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-bromophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butane-1,4-dione Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O2/c1-15(2)22-24-16(3)14-20(25-22)26-10-12-27(13-11-26)21(29)9-8-19(28)17-4-6-18(23)7-5-17/h4-7,14-15H,8-13H2,1-3H3