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

Systemtic Name: 5-[3-(benzimidazol-1-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 5-[3-(benzimidazol-1-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile CAS Name: 5-[3-(1-benzimidazolyl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-[3-(benzimidazol-1-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-[3-(benzimidazol-1-yl)prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C20H20N6 MolecularWeight: 344.413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2C=NC3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2C=NC3=CC=CC=C32)C#N

InChI

InChI=1S/C20H20N6/c1-20(2,3)13-23-19-15(12-22-18(11-21)25-19)7-6-10-26-14-24-16-8-4-5-9-17(16)26/h4-5,8-9,12,14H,10,13H2,1-3H3,(H,22,23,25)