6-(5-bromanyl-2-butoxy-phenyl)-N4-(4-chlorophenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(5-bromanyl-2-butoxy-phenyl)-N4-(4-chlorophenyl)pyrimidine-2,4-diamine Openeye Name: 6-(5-bromo-2-butoxy-phenyl)-N4-(4-chlorophenyl)pyrimidine-2,4-diamine CAS Name: 6-(5-bromo-2-butoxyphenyl)-N4-(4-chlorophenyl)pyrimidine-2,4-diamine IUPAC Name: 6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(5-bromo-2-butoxy-phenyl)pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C20H20BrClN4O MolecularWeight: 447.756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20BrClN4O/c1-2-3-10-27-18-9-4-13(21)11-16(18)17-12-19(26-20(23)25-17)24-15-7-5-14(22)6-8-15/h4-9,11-12H,2-3,10H2,1H3,(H3,23,24,25,26)