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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-piperonyl-acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O4S/c1-14-17(21(27)25-22(24-14)30-12-15-5-3-2-4-6-15)10-20(26)23-11-16-7-8-18-19(9-16)29-13-28-18/h2-9H,10-13H2,1H3,(H,23,26)(H,24,25,27)