2-cyano-4-(2,2-dimethylpropylamino)-N-(5-methyl-2-phenyl-pyrazol-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-(5-methyl-2-phenyl-pyrazol-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-(5-methyl-2-phenyl-pyrazol-3-yl)pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-(5-methyl-2-phenyl-3-pyrazolyl)-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CN=C(N=C2NCC(C)(C)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CN=C(N=C2NCC(C)(C)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N7O/c1-14-10-18(28(27-14)15-8-6-5-7-9-15)26-20(29)16-12-23-17(11-22)25-19(16)24-13-21(2,3)4/h5-10,12H,13H2,1-4H3,(H,26,29)(H,23,24,25)