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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: 2-[2-[(2-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-piperonyl-acetamide Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2F)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2F)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20FN3O4S/c1-13-16(9-20(27)24-10-14-6-7-18-19(8-14)30-12-29-18)21(28)26-22(25-13)31-11-15-4-2-3-5-17(15)23/h2-8H,9-12H2,1H3,(H,24,27)(H,25,26,28)