[[6-(butanoyloxymethylsulfanyl)-7H-purin-2-yl]amino]methyl butanoate

Systemtic Name: [[6-(butanoyloxymethylsulfanyl)-7H-purin-2-yl]amino]methyl butanoate Openeye Name: [[6-(butanoyloxymethylsulfanyl)-7H-purin-2-yl]amino]methyl butanoate CAS Name: butanoic acid [[6-(1-oxobutoxymethylthio)-7H-purin-2-yl]amino]methyl ester IUPAC Name: [[6-(butanoyloxymethylsulfanyl)-7H-purin-2-yl]amino]methyl butanoate Traditional Name: butyric acid [[6-(butyryloxymethylthio)-7H-purin-2-yl]amino]methyl ester Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCNC1=NC2=C(C(=N1)SCOC(=O)CCC)NC=N2

Isomeric SMILES

CCCC(=O)OCNC1=NC2=C(C(=N1)SCOC(=O)CCC)NC=N2

InChI

InChI=1S/C15H21N5O4S/c1-3-5-10(21)23-8-18-15-19-13-12(16-7-17-13)14(20-15)25-9-24-11(22)6-4-2/h7H,3-6,8-9H2,1-2H3,(H2,16,17,18,19,20)