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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-4-5-6-7-18-10-11(17(2)13(21)16-12(10)20)15-14(18)23-8-9(19)22-3/h4-8H2,1-3H3,(H,16,20,21)