N4-(4-ethoxyphenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-ethoxyphenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C19H28N7O4+ MolecularWeight: 418.47012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N7O4/c1-2-30-15-6-4-14(5-7-15)22-18-16(26(27)28)17(20)23-19(24-18)21-8-3-9-25-10-12-29-13-11-25/h4-7H,2-3,8-13H2,1H3,(H4,20,21,22,23,24)/p+1