N4-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromanylquinolin-8-yl)oxy-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromanylquinolin-8-yl)oxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(5-bromo-8-quinolyl)oxy]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(5-bromo-8-quinolinyl)oxy]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(5-bromo-8-quinolyl)oxy]pyrimidin-4-yl]-piperonyl-amine Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)N

InChI

InChI=1S/C21H16BrN5O3/c22-14-4-6-16(19-13(14)2-1-7-24-19)30-21-18(23)20(26-10-27-21)25-9-12-3-5-15-17(8-12)29-11-28-15/h1-8,10H,9,11,23H2,(H,25,26,27)