N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-piperonyl-acetamide Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O4S/c22-15-4-1-13(2-5-15)11-30-21-24-16(9-20(27)25-21)8-19(26)23-10-14-3-6-17-18(7-14)29-12-28-17/h1-7,9H,8,10-12H2,(H,23,26)(H,24,25,27)