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

Systemtic Name: methyl 2-[7-hexyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(7-hexyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-hexyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(7-hexyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-hexyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid methyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H24N4O4S/c1-5-6-7-8-9-20-12-13(17-15(20)25-10-11(21)24-4)18(2)16(23)19(3)14(12)22/h5-10H2,1-4H3