7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H12ClFN4O2S MolecularWeight: 354.787083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C14H12ClFN4O2S/c1-18-11-10(12(21)19(2)14(18)22)20(13(23)17-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3,(H,17,23)