2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C13H10ClFN6O2S MolecularWeight: 368.773903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)Cl)F

InChI

InChI=1S/C13H10ClFN6O2S/c14-6-3-5(1-2-7(6)15)17-8(22)4-24-13-18-9-10(20-13)19-12(16)21-11(9)23/h1-3H,4H2,(H,17,22)(H4,16,18,19,20,21,23)