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

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C19H28N7O3+ MolecularWeight: 402.47072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N7O3/c1-13-4-5-15(12-14(13)2)22-18-16(26(27)28)17(20)23-19(24-18)21-6-3-7-25-8-10-29-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H4,20,21,22,23,24)/p+1