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

Systemtic Name: N-(3-bromophenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C27H25BrN6O2 MolecularWeight: 545.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25BrN6O2/c28-22-12-7-13-23(18-22)31-26-25(34(35)36)27(30-19-29-26)33-16-14-32(15-17-33)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,24H,14-17H2,(H,29,30,31)