methyl 5-[[2,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-6-yl]sulfanyl]pentanoate

Systemtic Name: methyl 5-[[2,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-6-yl]sulfanyl]pentanoate Openeye Name: methyl 5-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)sulfanyl]pentanoate CAS Name: 5-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)thio]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)sulfanyl]pentanoate Traditional Name: 5-[(2,8-diketo-7,9-dihydro-3H-purin-6-yl)thio]valeric acid methyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4S/c1-19-6(16)4-2-3-5-20-9-7-8(13-10(17)12-7)14-11(18)15-9/h2-5H2,1H3,(H3,12,13,14,15,17,18)