N2-[3-(dimethylamino)propyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-5-nitro-6-(p-anisidino)pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C16H23N7O3 MolecularWeight: 361.39892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O3/c1-22(2)10-4-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-5-7-12(26-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H4,17,18,19,20,21)