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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O2/c24-21-20(30(31)32)22(27-23(26-21)25-12-11-18-7-3-1-4-8-18)29-15-13-28(14-16-29)17-19-9-5-2-6-10-19/h1-10H,11-17H2,(H3,24,25,26,27)