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

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C18H26N7O3+ MolecularWeight: 388.44414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O3/c1-12-3-4-14(11-13(12)2)21-17-15(25(26)27)16(19)22-18(23-17)20-5-6-24-7-9-28-10-8-24/h3-4,11H,5-10H2,1-2H3,(H4,19,20,21,22,23)/p+1