diethyl 2-[3-(7H-purin-6-ylsulfanyl)propyl]propanedioate

Systemtic Name: diethyl 2-[3-(7H-purin-6-ylsulfanyl)propyl]propanedioate Openeye Name: diethyl 2-[3-(7H-purin-6-ylsulfanyl)propyl]propanedioate CAS Name: 2-[3-(7H-purin-6-ylthio)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(7H-purin-6-ylsulfanyl)propyl]propanedioate Traditional Name: 2-[3-(7H-purin-6-ylthio)propyl]malonic acid diethyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCSC1=NC=NC2=C1NC=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCSC1=NC=NC2=C1NC=N2)C(=O)OCC

InChI

InChI=1S/C15H20N4O4S/c1-3-22-14(20)10(15(21)23-4-2)6-5-7-24-13-11-12(17-8-16-11)18-9-19-13/h8-10H,3-7H2,1-2H3,(H,16,17,18,19)