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

Systemtic Name: methyl 2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 2-[(3-methyl-7-octyl-2,6-dioxo-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 2-[(2,6-diketo-3-methyl-7-octyl-purin-8-yl)thio]propionic acid methyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-5-6-7-8-9-10-11-22-13-14(21(3)17(25)20-15(13)23)19-18(22)27-12(2)16(24)26-4/h12H,5-11H2,1-4H3,(H,20,23,25)