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

Systemtic Name: 2-methylpropyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl 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)OCC(C)C)N=CN3C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN7O2/c1-13(2)11-32-22(31)29(17-8-6-16(23)7-9-17)20-18-19(28(5)12-24-18)25-21(26-20)30-15(4)10-14(3)27-30/h6-10,12-13H,11H2,1-5H3