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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C20H14N6O4 MolecularWeight: 402.36296

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O4/c27-26(28)18-19(24-13-6-7-15-16(9-13)30-11-29-15)22-10-23-20(18)25-14-5-1-3-12-4-2-8-21-17(12)14/h1-10H,11H2,(H2,22,23,24,25)