N-[(2-bromophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(2-bromophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(2-bromophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-bromophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(2-bromophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-bromobenzyl)amine Formula: C22H23BrN6O2 MolecularWeight: 483.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C22H23BrN6O2/c23-19-9-5-4-8-18(19)14-24-21-20(29(30)31)22(26-16-25-21)28-12-10-27(11-13-28)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,25,26)