5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile

Systemtic Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile CAS Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C22H25N5 MolecularWeight: 359.4674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCC3=CC=CC=C3C2)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCC3=CC=CC=C3C2)C#N

InChI

InChI=1S/C22H25N5/c1-22(2,3)16-25-21-18(14-24-20(13-23)26-21)9-6-11-27-12-10-17-7-4-5-8-19(17)15-27/h4-5,7-8,14H,10-12,15-16H2,1-3H3,(H,24,25,26)