diethyl 2-(2-chloranyl-9-methyl-purin-6-yl)propanedioate

Systemtic Name: diethyl 2-(2-chloranyl-9-methyl-purin-6-yl)propanedioate Openeye Name: diethyl 2-(2-chloro-9-methyl-purin-6-yl)propanedioate CAS Name: 2-(2-chloro-9-methyl-6-purinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-chloro-9-methylpurin-6-yl)propanedioate Traditional Name: 2-(2-chloro-9-methyl-purin-6-yl)malonic acid diethyl ester Formula: C13H15ClN4O4 MolecularWeight: 326.7356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=NC(=N1)Cl)N(C=N2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C2C(=NC(=N1)Cl)N(C=N2)C)C(=O)OCC

InChI

InChI=1S/C13H15ClN4O4/c1-4-21-11(19)7(12(20)22-5-2)8-9-10(17-13(14)16-8)18(3)6-15-9/h6-7H,4-5H2,1-3H3