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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-(4-benzyl-1-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-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=NC(=C(C(=N3)NCC4=CC=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c24-21-20(29(30)31)22(25-16-19-9-5-2-6-10-19)27-23(26-21)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)