N4-ethyl-N4-(3-methylphenyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-ethyl-N4-(m-tolyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C25H25N5O MolecularWeight: 411.4989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c1-3-30(20-9-7-8-18(2)16-20)25-23(26)24(27-17-28-25)29-19-12-14-22(15-13-19)31-21-10-5-4-6-11-21/h4-17H,3,26H2,1-2H3,(H,27,28,29)