7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-oxo-1H-quinazolin-2-yl)methylthio]purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-8-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,3-dimethyl-xanthine Formula: C23H19FN6O3S MolecularWeight: 478.498763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CC=C5F

InChI

InChI=1S/C23H19FN6O3S/c1-28-19-18(21(32)29(2)23(28)33)30(11-13-7-3-5-9-15(13)24)22(27-19)34-12-17-25-16-10-6-4-8-14(16)20(31)26-17/h3-10H,11-12H2,1-2H3,(H,25,26,31)