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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12FN5O4 MolecularWeight: 369.306683

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

InChI

InChI=1S/C17H12FN5O4/c18-10-1-3-11(4-2-10)21-16-15(23(24)25)17(20-8-19-16)22-12-5-6-13-14(7-12)27-9-26-13/h1-8H,9H2,(H2,19,20,21,22)