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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(5-bromanylquinolin-8-yl)oxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[(5-bromo-8-quinolyl)oxy]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[(5-bromo-8-quinolinyl)oxy]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(5-bromo-8-quinolyl)oxy]pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C20H14BrN5O3 MolecularWeight: 452.26086

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)N

InChI

InChI=1S/C20H14BrN5O3/c21-13-4-6-15(18-12(13)2-1-7-23-18)29-20-17(22)19(24-9-25-20)26-11-3-5-14-16(8-11)28-10-27-14/h1-9H,10,22H2,(H,24,25,26)