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

Systemtic Name: N4-(4-chlorophenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C16H21ClN7O3+ MolecularWeight: 394.83604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H20ClN7O3/c17-11-1-3-12(4-2-11)20-15-13(24(25)26)14(18)21-16(22-15)19-5-6-23-7-9-27-10-8-23/h1-4H,5-10H2,(H4,18,19,20,21,22)/p+1