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

Systemtic Name: 2-[7-decyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-decyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(7-decyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: 2-(7-decyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-decyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C18H29N5O3S MolecularWeight: 395.51956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N5O3S/c1-3-4-5-6-7-8-9-10-11-23-14-15(20-18(23)27-12-13(19)24)22(2)17(26)21-16(14)25/h3-12H2,1-2H3,(H2,19,24)(H,21,25,26)