6-(5-bromanylquinolin-8-yl)oxy-N4-(4-ethylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N4-(4-ethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N4-(4-ethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N4-(4-ethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(5-bromo-8-quinolyl)oxy]pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C21H18BrN5O MolecularWeight: 436.30452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)N

InChI

InChI=1S/C21H18BrN5O/c1-2-13-5-7-14(8-6-13)27-20-18(23)21(26-12-25-20)28-17-10-9-16(22)15-4-3-11-24-19(15)17/h3-12H,2,23H2,1H3,(H,25,26,27)