7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C15H24N5O3S+ MolecularWeight: 354.44776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H23N5O3S/c1-4-20-11-12(17(2)15(22)18(3)13(11)21)16-14(20)24-10-7-19-5-8-23-9-6-19/h4-10H2,1-3H3/p+1