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

Systemtic Name: 2-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 2-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 2-[(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 2-[(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=C1SC(C)C(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SC(C)C(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-4-5-6-7-8-9-10-11-22-13-14(21(3)17(26)20-15(13)23)19-18(22)27-12(2)16(24)25/h12H,4-11H2,1-3H3,(H,24,25)(H,20,23,26)