1,3,7-trimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-morpholino-ethyl)thio]-1,3,7-trimethyl-xanthine Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H19N5O4S/c1-16-10-11(17(2)14(22)18(3)12(10)21)15-13(16)24-8-9(20)19-4-6-23-7-5-19/h4-8H2,1-3H3