N2-methyl-5-nitro-N2-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-methyl-5-nitro-N2-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-N2-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N7O2/c1-26(18-10-6-3-7-11-18)22-24-20(23)19(29(30)31)21(25-22)28-14-12-27(13-15-28)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,23,24,25)