1-(5-bromanyl-2-methoxy-phenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(5-bromo-2-methoxyphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H21BrN4O3/c1-27-17-5-3-14(20)13-15(17)16(25)4-6-18(26)23-9-11-24(12-10-23)19-21-7-2-8-22-19/h2-3,5,7-8,13H,4,6,9-12H2,1H3