1,3,9-trimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C14H22N5O3S+ MolecularWeight: 340.42118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC[NH+]3CCOCC3

InChI

InChI=1S/C14H21N5O3S/c1-16-11-10(12(20)18(3)14(21)17(11)2)15-13(16)23-9-6-19-4-7-22-8-5-19/h4-9H2,1-3H3/p+1