1,3,7-trimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-morpholinoethylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(4-morpholinyl)ethylthio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-morpholinoethylthio)xanthine Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

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