6-(4-bromanylphenoxy)-N4-(4-butylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(4-bromanylphenoxy)-N4-(4-butylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-bromophenoxy)-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(4-bromophenoxy)-N4-(4-butylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-bromophenoxy)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C20H21BrN4O/c1-2-3-4-14-5-9-16(10-6-14)25-19-18(22)20(24-13-23-19)26-17-11-7-15(21)8-12-17/h5-13H,2-4,22H2,1H3,(H,23,24,25)