7-hexyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C18H30N5O3S+ MolecularWeight: 396.5275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

InChI

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