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

Systemtic Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[2-(4-morpholin-4-iumyl)ethylthio]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C17H28N5O3S+ MolecularWeight: 382.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O3S/c1-3-4-5-6-22-13-14(20(2)16(24)19-15(13)23)18-17(22)26-12-9-21-7-10-25-11-8-21/h3-12H2,1-2H3,(H,19,23,24)/p+1