N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C19H13ClFN5O2S MolecularWeight: 429.855223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H13ClFN5O2S/c20-13-8-11(6-7-14(13)21)24-15(27)9-29-19-25-16-17(22-10-23-18(16)28)26(19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,24,27)(H,22,23,28)