4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(3-methyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C21H16N6 MolecularWeight: 352.39194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6/c1-15-19(14-27(26-15)18-5-3-2-4-6-18)20-11-12-23-21(25-20)24-17-9-7-16(13-22)8-10-17/h2-12,14H,1H3,(H,23,24,25)