N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H14FN5O4 MolecularWeight: 383.333263

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

InChI

InChI=1S/C18H14FN5O4/c19-12-2-4-13(5-3-12)23-18-16(24(25)26)17(21-9-22-18)20-8-11-1-6-14-15(7-11)28-10-27-14/h1-7,9H,8,10H2,(H2,20,21,22,23)