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

Systemtic Name: ethyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20ClN7O2 MolecularWeight: 425.8715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=CC=C(C=C1)Cl)C2=NC(=NC3=C2N=CN3C)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)N(C1=CC=C(C=C1)Cl)C2=NC(=NC3=C2N=CN3C)N4C(=CC(=N4)C)C

InChI

InChI=1S/C20H20ClN7O2/c1-5-30-20(29)27(15-8-6-14(21)7-9-15)18-16-17(26(4)11-22-16)23-19(24-18)28-13(3)10-12(2)25-28/h6-11H,5H2,1-4H3