2-[[2-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]amino]-4-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-4-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-phenylpyrimidine-5-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]amino]-4-phenyl-pyrimidine-5-carbonitrile Formula: C21H17N7 MolecularWeight: 367.40658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC=N2)NC3=NC=C(C(=N3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC=N2)NC3=NC=C(C(=N3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C21H17N7/c1-14-11-15(2)28(27-14)20-18(9-6-10-23-20)25-21-24-13-17(12-22)19(26-21)16-7-4-3-5-8-16/h3-11,13H,1-2H3,(H,24,25,26)