2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(4-fluorophenyl)-2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]acetamide Formula: C22H16FN5O4S MolecularWeight: 465.456943

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=NC=CN=C4N=C3SCC(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=NC=CN=C4N=C3SCC(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C22H16FN5O4S/c23-14-2-4-15(5-3-14)26-18(29)11-33-22-27-20-19(24-7-8-25-20)21(30)28(22)10-13-1-6-16-17(9-13)32-12-31-16/h1-9H,10-12H2,(H,26,29)