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

Systemtic Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C13H17N4O4S- MolecularWeight: 325.36348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O4S/c1-7(2)4-5-17-9-10(14-13(17)22-6-8(18)19)16(3)12(21)15-11(9)20/h7H,4-6H2,1-3H3,(H,18,19)(H,15,20,21)/p-1