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

Systemtic Name: methyl 2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 2-[(7-dodecyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 2-[(2,6-diketo-7-lauryl-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H36N4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26-17-18(25(3)21(29)24-19(17)27)23-22(26)31-16(2)20(28)30-4/h16H,5-15H2,1-4H3,(H,24,27,29)