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

Systemtic Name: N-(3-bromophenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C21H21BrN6O2 MolecularWeight: 469.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN6O2/c22-17-7-4-8-18(13-17)25-20-19(28(29)30)21(24-15-23-20)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,23,24,25)