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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C15H24N5O4S+ MolecularWeight: 370.44716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC[NH+]3CCOCC3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC[NH+]3CCOCC3)CCOC

InChI

InChI=1S/C15H23N5O4S/c1-18-12-11(13(21)17-14(18)22)20(5-7-23-2)15(16-12)25-10-6-19-3-8-24-9-4-19/h3-10H2,1-2H3,(H,17,21,22)/p+1