N-(4-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromophenyl)-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (4-bromophenyl)-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H18BrClN6O2 MolecularWeight: 489.75292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrClN6O2/c21-14-4-6-16(7-5-14)25-19-18(28(29)30)20(24-13-23-19)27-10-8-26(9-11-27)17-3-1-2-15(22)12-17/h1-7,12-13H,8-11H2,(H,23,24,25)