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

Systemtic Name: methyl 2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-7-octyl-2,6-dioxo-8-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-octyl-purin-8-yl)thio]acetic acid methyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N4O4S/c1-4-5-6-7-8-9-10-21-13-14(20(2)16(24)19-15(13)23)18-17(21)26-11-12(22)25-3/h4-11H2,1-3H3,(H,19,23,24)