2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(3-methyl-7-octyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(2,6-diketo-3-methyl-7-octyl-purin-8-yl)thio]acetic acid Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O4S/c1-3-4-5-6-7-8-9-20-12-13(17-16(20)25-10-11(21)22)19(2)15(24)18-14(12)23/h3-10H2,1-2H3,(H,21,22)(H,18,23,24)