[[9-(butanoyloxymethyl)-6-(butanoyloxymethylsulfanyl)purin-2-yl]amino]methyl butanoate

Systemtic Name: [[9-(butanoyloxymethyl)-6-(butanoyloxymethylsulfanyl)purin-2-yl]amino]methyl butanoate Openeye Name: [[9-(butanoyloxymethyl)-6-(butanoyloxymethylsulfanyl)purin-2-yl]amino]methyl butanoate CAS Name: butanoic acid [[9-(1-oxobutoxymethyl)-6-(1-oxobutoxymethylthio)-2-purinyl]amino]methyl ester IUPAC Name: [[9-(butanoyloxymethyl)-6-(butanoyloxymethylsulfanyl)purin-2-yl]amino]methyl butanoate Traditional Name: butyric acid [[9-(butyryloxymethyl)-6-(butyryloxymethylthio)purin-2-yl]amino]methyl ester Formula: C20H29N5O6S MolecularWeight: 467.53916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCNC1=NC2=C(C(=N1)SCOC(=O)CCC)N=CN2COC(=O)CCC

Isomeric SMILES

CCCC(=O)OCNC1=NC2=C(C(=N1)SCOC(=O)CCC)N=CN2COC(=O)CCC

InChI

InChI=1S/C20H29N5O6S/c1-4-7-14(26)29-11-22-20-23-18-17(19(24-20)32-13-31-16(28)9-6-3)21-10-25(18)12-30-15(27)8-5-2/h10H,4-9,11-13H2,1-3H3,(H,22,23,24)