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

Systemtic Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-isoquinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: N2-(4,5-dimethoxy-2-methyl-phenyl)-N4-(3-isoquinolyl)pyrimidine-2,4-diamine CAS Name: N2-(4,5-dimethoxy-2-methylphenyl)-N4-(3-isoquinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4,5-dimethoxy-2-methylphenyl)-4-N-isoquinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-(4,5-dimethoxy-2-methyl-anilino)pyrimidin-4-yl]-(3-isoquinolyl)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=CC=CC=C4C=N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4C=N3)OC)OC

InChI

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