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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(5-bromo-8-quinolyl)oxy]pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)N)C

InChI

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