2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: 2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-isopentyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[(7-isoamyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetate Formula: C14H19N4O4S- MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20N4O4S/c1-8(2)5-6-18-10-11(15-13(18)23-7-9(19)20)16(3)14(22)17(4)12(10)21/h8H,5-7H2,1-4H3,(H,19,20)/p-1