2-[(6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(6-thioxo-3H-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(6-thioxo-3H-purin-9-yl)methoxy]ethyl ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1NC=NC2=S

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C10H12N4O3S/c1-7(15)17-3-2-16-6-14-5-13-8-9(14)11-4-12-10(8)18/h4-5H,2-3,6H2,1H3,(H,11,12,18)