2-[(2-acetamido-8-pentylsulfanyl-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(2-acetamido-8-pentylsulfanyl-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(2-acetamido-8-pentylsulfanyl-6-thioxo-3H-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-8-(pentylthio)-6-sulfanylidene-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[(2-acetamido-8-pentylsulfanyl-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(amylthio)-6-thioxo-3H-purin-9-yl]methoxy]ethyl ester Formula: C17H25N5O4S2 MolecularWeight: 427.5415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1COCCOC(=O)C)NC(=NC2=S)NC(=O)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1COCCOC(=O)C)NC(=NC2=S)NC(=O)C

InChI

InChI=1S/C17H25N5O4S2/c1-4-5-6-9-28-17-19-13-14(20-16(18-11(2)23)21-15(13)27)22(17)10-25-7-8-26-12(3)24/h4-10H2,1-3H3,(H2,18,20,21,23,27)