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

Systemtic Name: methyl 2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H22N4O4S/c1-9(2)6-7-19-11-12(16-14(19)24-8-10(20)23-5)17(3)15(22)18(4)13(11)21/h9H,6-8H2,1-5H3