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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O3S/c1-10-13(11(2)19-17(18-10)24-3)5-7-16(21)20-12-4-6-14-15(8-12)23-9-22-14/h4,6,8H,5,7,9H2,1-3H3,(H,20,21)