N4-(4-butylphenyl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C22H25ClN4O MolecularWeight: 396.9131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O/c1-4-5-6-16-7-9-17(10-8-16)27-21-20(24)22(26-13-25-21)28-18-11-14(2)19(23)15(3)12-18/h7-13H,4-6,24H2,1-3H3,(H,25,26,27)