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

Systemtic Name: 5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O2/c24-21-20(29(30)31)22(27-23(26-21)25-16-19-9-5-2-6-10-19)28-13-11-18(12-14-28)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H3,24,25,26,27)