N-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C21H14BrN5O5 MolecularWeight: 496.27036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN5O5/c22-14-4-6-16(18-13(14)2-1-7-23-18)32-21-19(27(28)29)20(25-10-26-21)24-9-12-3-5-15-17(8-12)31-11-30-15/h1-8,10H,9,11H2,(H,24,25,26)