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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C19H16FN5O4 MolecularWeight: 397.359843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FN5O4/c20-14-4-1-12(2-5-14)8-21-18-17(25(26)27)19(24-10-23-18)22-9-13-3-6-15-16(7-13)29-11-28-15/h1-7,10H,8-9,11H2,(H2,21,22,23,24)