pentyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: pentyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetic acid amyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O4S/c1-4-5-6-7-22-9(19)8-23-14-15-11-10(17(14)2)12(20)16-13(21)18(11)3/h4-8H2,1-3H3,(H,16,20,21)