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

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H16F3N5O2S MolecularWeight: 471.45495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F3N5O2S/c23-22(24,25)15-7-4-8-16(11-15)28-17(31)13-33-21-29-19-18(26-9-10-27-19)20(32)30(21)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,28,31)