8-(4-fluorophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-fluorophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(4-fluorophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(4-fluorophenyl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(4-fluorophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-fluorophenyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H11FN4O2S MolecularWeight: 306.315443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C13H11FN4O2S/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-8-5-3-7(14)4-6-8/h3-6H,1-2H3,(H,15,16)