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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

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