2-[[7-decyl-3-methyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-8-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[7-decyl-3-methyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-8-yl]sulfanyl]ethanamide Openeye Name: 2-[(7-decyl-3-methyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetamide CAS Name: 2-[(7-decyl-3-methyl-2,6-dioxo-9H-purin-7-ium-8-yl)thio]acetamide IUPAC Name: 2-[(7-decyl-3-methyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetamide Traditional Name: 2-[(7-decyl-2,6-diketo-3-methyl-9H-purin-7-ium-8-yl)thio]acetamide Formula: C18H30N5O3S+ MolecularWeight: 396.5275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)SCC(=O)N

Isomeric SMILES

CCCCCCCCCC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)SCC(=O)N

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,(H3,19,21,24,25,26)/p+1