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

Systemtic Name: 5-[3-(1,3-dihydroisoindol-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-(3-isoindolin-2-ylprop-1-ynyl)pyrimidine-2-carbonitrile CAS Name: 5-[3-(1,3-dihydroisoindol-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-[3-(1,3-dihydroisoindol-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-(3-isoindolin-2-ylprop-1-ynyl)-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C21H23N5 MolecularWeight: 345.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CC3=CC=CC=C3C2)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CC3=CC=CC=C3C2)C#N

InChI

InChI=1S/C21H23N5/c1-21(2,3)15-24-20-16(12-23-19(11-22)25-20)9-6-10-26-13-17-7-4-5-8-18(17)14-26/h4-5,7-8,12H,10,13-15H2,1-3H3,(H,23,24,25)