5-nitro-N4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O2/c22-19-18(28(29)30)20(23-17-9-5-2-6-10-17)25-21(24-19)27-13-11-26(12-14-27)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H3,22,23,24,25)