4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)-5-pyrimidinamine IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-yl]amine Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H22N4O/c1-14-9-15(2)11-18(10-14)26-21-19(22)20(23-13-24-21)25-8-7-16-5-3-4-6-17(16)12-25/h3-6,9-11,13H,7-8,12,22H2,1-2H3