N4-(4-methylphenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-methylphenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N4-(4-methylphenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-methylphenyl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H24N7O3+ MolecularWeight: 374.41756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H23N7O3/c1-12-2-4-13(5-3-12)20-16-14(24(25)26)15(18)21-17(22-16)19-6-7-23-8-10-27-11-9-23/h2-5H,6-11H2,1H3,(H4,18,19,20,21,22)/p+1