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

Systemtic Name: 2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S/c1-3-4-5-6-7-8-19-11-12(16-15(19)24-9-10(20)21)18(2)14(23)17-13(11)22/h3-9H2,1-2H3,(H,20,21)(H,17,22,23)