7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione Traditional Name: 7-(3-fluorobenzyl)-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C20H22FN5O4S MolecularWeight: 447.483183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCOCC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCOCC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN5O4S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-4-3-5-14(21)10-13)19(22-17)31-12-15(27)25-6-8-30-9-7-25/h3-5,10H,6-9,11-12H2,1-2H3