N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-quinolin-6-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-quinolin-6-yl-pyrimidine-2,4-diamine Openeye Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-(6-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-(4,5-dimethoxy-2-methylphenyl)-N4-(6-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4,5-dimethoxy-2-methylphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine Traditional Name: [2-(4,5-dimethoxy-2-methyl-anilino)pyrimidin-4-yl]-(6-quinolyl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CC=C4)OC)OC

InChI

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