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

Systemtic Name: N4-(4-butylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H24N4O2 MolecularWeight: 364.44086

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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-3-4-5-15-6-8-16(9-7-15)25-20-19(22)21(24-14-23-20)27-18-12-10-17(26-2)11-13-18/h6-14H,3-5,22H2,1-2H3,(H,23,24,25)