tert-butyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate

Systemtic Name: tert-butyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate Openeye Name: tert-butyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate CAS Name: N-(4-chlorophenyl)-N-[2-(3,5-dimethyl-1-pyrazolyl)-9-methyl-6-purinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-yl]carbamate Traditional Name: N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamic acid tert-butyl ester Formula: C22H24ClN7O2 MolecularWeight: 453.92466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C(=N2)N(C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C)N=CN3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)N(C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C)N=CN3C)C

InChI

InChI=1S/C22H24ClN7O2/c1-13-11-14(2)30(27-13)20-25-18-17(24-12-28(18)6)19(26-20)29(21(31)32-22(3,4)5)16-9-7-15(23)8-10-16/h7-12H,1-6H3