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

Systemtic Name: ethyl 2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylbutanoate CAS Name: 2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylbutanoate Traditional Name: 2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H30N4O4S/c1-5-8-9-10-11-12-23-14-15(22(4)18(26)21-16(14)24)20-19(23)28-13(6-2)17(25)27-7-3/h13H,5-12H2,1-4H3,(H,21,24,26)