4-(2,2-dimethylpropylamino)-5-(3-imidazol-1-ylprop-1-ynyl)pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-(3-imidazol-1-ylprop-1-ynyl)pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-(3-imidazol-1-ylprop-1-ynyl)pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-(1-imidazolyl)prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-(3-imidazol-1-ylprop-1-ynyl)pyrimidine-2-carbonitrile Traditional Name: 5-(3-imidazol-1-ylprop-1-ynyl)-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2C=CN=C2)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2C=CN=C2)C#N

InChI

InChI=1S/C16H18N6/c1-16(2,3)11-20-15-13(10-19-14(9-17)21-15)5-4-7-22-8-6-18-12-22/h6,8,10,12H,7,11H2,1-3H3,(H,19,20,21)