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

Systemtic Name: pentyl 2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: pentyl 2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid amyl ester Formula: C20H32N4O4S MolecularWeight: 424.55748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(=O)OCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC(=O)OCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H32N4O4S/c1-4-6-8-9-10-12-24-16-17(23(3)19(27)22-18(16)26)21-20(24)29-14-15(25)28-13-11-7-5-2/h4-14H2,1-3H3,(H,22,26,27)