diethyl 2-acetamido-2-[4-(6-chloranylpurin-7-yl)butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4-(6-chloranylpurin-7-yl)butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedioate CAS Name: 2-acetamido-2-[4-(6-chloro-7-purinyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedioate Traditional Name: 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]malonic acid diethyl ester Formula: C18H24ClN5O5 MolecularWeight: 425.86666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1C(=NC=N2)Cl)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1C(=NC=N2)Cl)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H24ClN5O5/c1-4-28-16(26)18(23-12(3)25,17(27)29-5-2)8-6-7-9-24-11-22-15-13(24)14(19)20-10-21-15/h10-11H,4-9H2,1-3H3,(H,23,25)