diethyl 2-[4-(6-chloranylpurin-9-yl)butyl]-2-formamido-propanedioate

Systemtic Name: diethyl 2-[4-(6-chloranylpurin-9-yl)butyl]-2-formamido-propanedioate Openeye Name: diethyl 2-[4-(6-chloropurin-9-yl)butyl]-2-formamido-propanedioate CAS Name: 2-[4-(6-chloro-9-purinyl)butyl]-2-formamidopropanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(6-chloropurin-9-yl)butyl]-2-formamidopropanedioate Traditional Name: 2-[4-(6-chloropurin-9-yl)butyl]-2-formamido-malonic acid diethyl ester Formula: C17H22ClN5O5 MolecularWeight: 411.84008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1N=CN=C2Cl)(C(=O)OCC)NC=O

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1N=CN=C2Cl)(C(=O)OCC)NC=O

InChI

InChI=1S/C17H22ClN5O5/c1-3-27-15(25)17(22-11-24,16(26)28-4-2)7-5-6-8-23-10-21-12-13(18)19-9-20-14(12)23/h9-11H,3-8H2,1-2H3,(H,22,24)