N6-(4-phenoxyphenyl)-N4-pyridin-4-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-phenoxyphenyl)-N4-pyridin-4-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(4-phenoxyphenyl)-N4-(4-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-phenoxyphenyl)-N4-pyridin-4-ylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-phenoxyphenyl)-4-N-pyridin-4-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C21H18N6O MolecularWeight: 370.40722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=NC=C4)N

InChI

InChI=1S/C21H18N6O/c22-19-20(24-14-25-21(19)27-16-10-12-23-13-11-16)26-15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-14H,22H2,(H2,23,24,25,26,27)