N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-piperonyl-propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O3S/c1-11-14(12(2)21-18(20-11)25-3)5-7-17(22)19-9-13-4-6-15-16(8-13)24-10-23-15/h4,6,8H,5,7,9-10H2,1-3H3,(H,19,22)