5-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoic acid CAS Name: 5-[(8-oxo-7,9-dihydropurin-6-yl)thio]pentanoic acid IUPAC Name: 5-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(8-keto-7,9-dihydropurin-6-yl)thio]valeric acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)SCCCCC(=O)O)NC(=O)N2

Isomeric SMILES

C1=NC2=C(C(=N1)SCCCCC(=O)O)NC(=O)N2

InChI

InChI=1S/C10H12N4O3S/c15-6(16)3-1-2-4-18-9-7-8(11-5-12-9)14-10(17)13-7/h5H,1-4H2,(H,15,16)(H2,11,12,13,14,17)