5-(3,4-dimethylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile

Systemtic Name: 5-(3,4-dimethylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile Openeye Name: 5-(3,4-dimethylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile CAS Name: 5-(3,4-dimethylphenyl)-1-(2-pyrimidinyl)-3-pyrazolecarbonitrile IUPAC Name: 5-(3,4-dimethylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile Traditional Name: 5-(3,4-dimethylphenyl)-1-(2-pyrimidyl)pyrazole-3-carbonitrile Formula: C16H13N5 MolecularWeight: 275.30792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC=CC=N3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC=CC=N3)C#N)C

InChI

InChI=1S/C16H13N5/c1-11-4-5-13(8-12(11)2)15-9-14(10-17)20-21(15)16-18-6-3-7-19-16/h3-9H,1-2H3