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

Systemtic Name: butyl 5-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]pentanoate Openeye Name: butyl 5-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]pentanoate CAS Name: 5-[(2-oxo-3,7-dihydropurin-6-yl)thio]pentanoic acid butyl ester IUPAC Name: butyl 5-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]pentanoate Traditional Name: 5-[(2-keto-3,7-dihydropurin-6-yl)thio]valeric acid butyl ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-2-3-7-21-10(19)6-4-5-8-22-13-11-12(16-9-15-11)17-14(20)18-13/h9H,2-8H2,1H3,(H2,15,16,17,18,20)