N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

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