ethyl 5-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]pentanoate

Systemtic Name: ethyl 5-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]pentanoate Openeye Name: ethyl 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoate CAS Name: 5-[(8-oxo-7,9-dihydropurin-6-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoate Traditional Name: 5-[(8-keto-7,9-dihydropurin-6-yl)thio]valeric acid ethyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC=NC2=C1NC(=O)N2

Isomeric SMILES

CCOC(=O)CCCCSC1=NC=NC2=C1NC(=O)N2

InChI

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