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

Systemtic Name: 5-nitro-N2-phenyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-phenyl-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-phenyl-amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c23-20-19(28(29)30)21(26-22(25-20)24-18-9-5-2-6-10-18)27-13-11-17(12-14-27)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H3,23,24,25,26)