dimethyl 2-[2-(6-azanyl-2-chloranyl-purin-9-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(6-azanyl-2-chloranyl-purin-9-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(6-amino-2-chloro-purin-9-yl)ethyl]propanedioate CAS Name: 2-[2-(6-amino-2-chloro-9-purinyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(6-amino-2-chloropurin-9-yl)ethyl]propanedioate Traditional Name: 2-[2-(6-amino-2-chloro-purin-9-yl)ethyl]malonic acid dimethyl ester Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C=NC2=C1N=C(N=C2N)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C=NC2=C1N=C(N=C2N)Cl)C(=O)OC

InChI

InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(14)16-12(13)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)