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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C21H16N6O4 MolecularWeight: 416.38954

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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=CC5=C4C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C21H16N6O4/c28-27(29)19-20(23-10-13-6-7-17-18(9-13)31-12-30-17)24-11-25-21(19)26-16-5-1-4-15-14(16)3-2-8-22-15/h1-9,11H,10,12H2,(H2,23,24,25,26)