N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(dimethylamino)propyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C21H31N7O2 MolecularWeight: 413.51654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N7O2/c1-26(2)12-6-11-23-21-24-19(22)18(28(29)30)20(25-21)27-13-9-17(10-14-27)15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H3,22,23,24,25)