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

Systemtic Name: methyl 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O4S/c1-4-5-6-7-8-19-11-12(18(2)14(22)17-13(11)21)16-15(19)24-9-10(20)23-3/h4-9H2,1-3H3,(H,17,21,22)