N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(4-chloro-2-fluoro-phenyl)acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(4-chloro-2-fluoro-phenyl)acetamide Formula: C21H15ClFN5O2S MolecularWeight: 455.892503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C21H15ClFN5O2S/c22-14-6-7-16(15(23)10-14)26-17(29)12-31-21-27-19-18(24-8-9-25-19)20(30)28(21)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,26,29)