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ethyl 5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]pentanoate

ethyl 5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]pentanoate

Systemtic Name:ethyl 5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]pentanoate
Openeye Name:ethyl 5-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]pentanoate
CAS Name:5-[(6-oxo-3,7-dihydropurin-2-yl)thio]pentanoic acid ethyl ester
IUPAC Name:ethyl 5-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]pentanoate
Traditional Name:5-[(6-keto-3,7-dihydropurin-2-yl)thio]valeric acid ethyl ester
Formula: C12H16N4O3S
MolecularWeight: 296.34544
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC(=O)C2=C(N1)N=CN2


Isomeric SMILES

CCOC(=O)CCCCSC1=NC(=O)C2=C(N1)N=CN2


InChI

InChI=1S/C12H16N4O3S/c1-2-19-8(17)5-3-4-6-20-12-15-10-9(11(18)16-12)13-7-14-10/h7H,2-6H2,1H3,(H2,13,14,15,16,18)


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