N4-(2-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-fluorophenyl)-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-fluorophenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C16H16FN7O2 MolecularWeight: 357.342343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H16FN7O2/c17-12-4-1-2-5-13(12)22-16-14(24(25)26)15(20-10-21-16)19-6-3-8-23-9-7-18-11-23/h1-2,4-5,7,9-11H,3,6,8H2,(H2,19,20,21,22)