N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-(4,5-dimethoxy-2-methylphenyl)-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4,5-dimethoxy-2-methylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-(4,5-dimethoxy-2-methyl-anilino)pyrimidin-4-yl]-(3-quinolyl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)OC

InChI

InChI=1S/C22H21N5O2/c1-14-10-19(28-2)20(29-3)12-18(14)26-22-23-9-8-21(27-22)25-16-11-15-6-4-5-7-17(15)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)