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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]-N-phenethyl-acetamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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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)NCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=NC=CN=C4N=C3SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O4S/c30-20(25-9-8-16-4-2-1-3-5-16)14-34-24-28-22-21(26-10-11-27-22)23(31)29(24)13-17-6-7-18-19(12-17)33-15-32-18/h1-7,10-12H,8-9,13-15H2,(H,25,30)