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

Systemtic Name: ethyl 2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N4O4S/c1-4-6-7-8-9-10-21-13-14(20(3)16(24)19-15(13)23)18-17(21)26-11-12(22)25-5-2/h4-11H2,1-3H3,(H,19,23,24)