1-[4-(4-bromanylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(4-bromanylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(4-bromophenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(4-bromophenoxy)phenyl]-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(4-bromophenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(4-bromophenoxy)phenyl]-5-[4-(2-pyrimidyl)piperazino]barbituric acid Formula: C24H21BrN6O4 MolecularWeight: 537.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C5=NC=CC=N5

InChI

InChI=1S/C24H21BrN6O4/c25-16-2-6-18(7-3-16)35-19-8-4-17(5-9-19)31-22(33)20(21(32)28-24(31)34)29-12-14-30(15-13-29)23-26-10-1-11-27-23/h1-11,20H,12-15H2,(H,28,32,34)