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

Systemtic Name: N4-(3-methylphenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(2-morpholin-4-ium-4-ylethyl)-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-methylphenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-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]-(m-tolyl)amine Formula: C17H24N7O3+ MolecularWeight: 374.41756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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