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

Systemtic Name: 3-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 3-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-diketo-3-methyl-7-nonyl-purin-8-yl)thio]propionic acid Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-3-4-5-6-7-8-9-11-22-14-15(21(2)17(26)20-16(14)25)19-18(22)27-12-10-13(23)24/h3-12H2,1-2H3,(H,23,24)(H,20,25,26)