N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-o-phenetyl-amine Formula: C22H27N5O MolecularWeight: 377.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3OCC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3OCC)N

InChI

InChI=1S/C22H27N5O/c1-3-5-8-16-11-13-17(14-12-16)26-21-20(23)22(25-15-24-21)27-18-9-6-7-10-19(18)28-4-2/h6-7,9-15H,3-5,8,23H2,1-2H3,(H2,24,25,26,27)