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

Systemtic Name: N2-methyl-5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-(4-benzylpiperazin-1-yl)-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-(4-benzylpiperazin-1-yl)-2-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-yl]-benzyl-methyl-amine Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N7O2/c1-27(16-18-8-4-2-5-9-18)23-25-21(24)20(30(31)32)22(26-23)29-14-12-28(13-15-29)17-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3,(H2,24,25,26)