1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

InChI

InChI=1S/C20H23BrN4O2/c1-14-3-4-16(11-15(14)2)18(26)5-6-19(27)24-7-9-25(10-8-24)20-22-12-17(21)13-23-20/h3-4,11-13H,5-10H2,1-2H3