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

Systemtic Name: methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

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