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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N4O4S/c1-3-4-5-6-7-8-9-10-21-13-14(18-17(21)26-11-12(22)23)20(2)16(25)19-15(13)24/h3-11H2,1-2H3,(H,22,23)(H,19,24,25)