(9-butanoyloxypurin-6-yl)sulfanylmethyl butanoate

Systemtic Name: (9-butanoyloxypurin-6-yl)sulfanylmethyl butanoate Openeye Name: (9-butanoyloxypurin-6-yl)sulfanylmethyl butanoate CAS Name: butanoic acid [[9-(1-oxobutoxy)-6-purinyl]thio]methyl ester IUPAC Name: (9-butanoyloxypurin-6-yl)sulfanylmethyl butanoate Traditional Name: butyric acid [(9-butyryloxypurin-6-yl)thio]methyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCSC1=NC=NC2=C1N=CN2OC(=O)CCC

Isomeric SMILES

CCCC(=O)OCSC1=NC=NC2=C1N=CN2OC(=O)CCC

InChI

InChI=1S/C14H18N4O4S/c1-3-5-10(19)21-9-23-14-12-13(15-7-16-14)18(8-17-12)22-11(20)6-4-2/h7-8H,3-6,9H2,1-2H3