4-[[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]amino]benzonitrile CAS Name: 4-[[2-(3,5-dimethyl-1-pyrazolyl)-9-methyl-6-purinyl]amino]benzonitrile IUPAC Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-yl]amino]benzonitrile Traditional Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]amino]benzonitrile Formula: C18H16N8 MolecularWeight: 344.37324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C#N)N=CN3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C#N)N=CN3C)C

InChI

InChI=1S/C18H16N8/c1-11-8-12(2)26(24-11)18-22-16(15-17(23-18)25(3)10-20-15)21-14-6-4-13(9-19)5-7-14/h4-8,10H,1-3H3,(H,21,22,23)