7H-purin-6-ylsulfanylmethyl butanoate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl butanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl butanoate CAS Name: butanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl butanoate Traditional Name: butyric acid (7H-purin-6-ylthio)methyl ester Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCC(=O)OCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C10H12N4O2S/c1-2-3-7(15)16-6-17-10-8-9(12-4-11-8)13-5-14-10/h4-5H,2-3,6H2,1H3,(H,11,12,13,14)