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

Systemtic Name: 3-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(7-dodecyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 3-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-diketo-7-lauryl-3-methyl-purin-8-yl)thio]propionic acid Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H34N4O4S/c1-3-4-5-6-7-8-9-10-11-12-14-25-17-18(24(2)20(29)23-19(17)28)22-21(25)30-15-13-16(26)27/h3-15H2,1-2H3,(H,26,27)(H,23,28,29)