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

Systemtic Name: 1-adamantyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate Openeye Name: 1-adamantyl 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 1-adamantyl ester IUPAC Name: 1-adamantyl 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 1-adamantyl ester Formula: C28H30ClN7O2 MolecularWeight: 532.0365

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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)OC56CC7CC(C5)CC(C7)C6)N=CN3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)N(C4=CC=C(C=C4)Cl)C(=O)OC56CC7CC(C5)CC(C7)C6)N=CN3C)C

InChI

InChI=1S/C28H30ClN7O2/c1-16-8-17(2)36(33-16)26-31-24-23(30-15-34(24)3)25(32-26)35(22-6-4-21(29)5-7-22)27(37)38-28-12-18-9-19(13-28)11-20(10-18)14-28/h4-8,15,18-20H,9-14H2,1-3H3