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

Systemtic Name: ethyl 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-4-6-7-8-9-20-12-13(19(3)15(23)18-14(12)22)17-16(20)25-10-11(21)24-5-2/h4-10H2,1-3H3,(H,18,22,23)