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

Systemtic Name: N4-(2-fluorophenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-fluorophenyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-fluorophenyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-fluorophenyl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H23FN7O3+ MolecularWeight: 392.408023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

InChI

InChI=1S/C17H22FN7O3/c18-12-4-1-2-5-13(12)21-16-14(25(26)27)15(19)22-17(23-16)20-6-3-7-24-8-10-28-11-9-24/h1-2,4-5H,3,6-11H2,(H4,19,20,21,22,23)/p+1