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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]-N-phenyl-acetamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O4S/c28-18(25-15-4-2-1-3-5-15)12-32-22-26-20-19(23-8-9-24-20)21(29)27(22)11-14-6-7-16-17(10-14)31-13-30-16/h1-10H,11-13H2,(H,25,28)