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

Systemtic Name: 2-methoxyethyl N-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]carbamate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C21H22ClN7O3 MolecularWeight: 455.89748

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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)OCCOC)N=CN3C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN7O3/c1-13-11-14(2)29(26-13)20-24-18-17(23-12-27(18)3)19(25-20)28(21(30)32-10-9-31-4)16-7-5-15(22)6-8-16/h5-8,11-12H,9-10H2,1-4H3