N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-fluorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H15F2N5O2S MolecularWeight: 439.437906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H15F2N5O2S/c22-14-3-1-13(2-4-14)11-28-20(30)18-19(25-10-9-24-18)27-21(28)31-12-17(29)26-16-7-5-15(23)6-8-16/h1-10H,11-12H2,(H,26,29)