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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: 2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-N-piperonyl-acetamide Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-14-18(11-21(27)24-12-16-8-9-19-20(10-16)30-13-29-19)22(28)26-23(25-14)31-15(2)17-6-4-3-5-7-17/h3-10,15H,11-13H2,1-2H3,(H,24,27)(H,25,26,28)