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

Systemtic Name: ethyl 2-[7-hexadecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-hexadecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-hexadecyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-cetyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C26H44N4O4S MolecularWeight: 508.71696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H44N4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-22-23(29(3)25(33)28-24(22)32)27-26(30)35-20-21(31)34-5-2/h4-20H2,1-3H3,(H,28,32,33)