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

Systemtic Name: diethyl 2-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]propanedioate Openeye Name: diethyl 2-[2-(2-amino-6-chloro-purin-9-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-6-chloro-9-purinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-amino-6-chloro-purin-9-yl)ethyl]malonic acid diethyl ester Formula: C14H18ClN5O4 MolecularWeight: 355.77682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OCC

InChI

InChI=1S/C14H18ClN5O4/c1-3-23-12(21)8(13(22)24-4-2)5-6-20-7-17-9-10(15)18-14(16)19-11(9)20/h7-8H,3-6H2,1-2H3,(H2,16,18,19)