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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H34N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-25-17-18(24(2)20(28)23-19(17)27)22-21(25)30-15-16(26)29-3/h4-15H2,1-3H3,(H,23,27,28)