(2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethylpyrimidin-2-yl)butanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethylpyrimidin-2-yl)butanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethylpyrimidin-2-yl)butanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethyl-2-pyrimidinyl)butanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethylpyrimidin-2-yl)butanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4,6-dimethylpyrimidin-2-yl)butyramide Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CC(=N1)C)C)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NC(=CC(=N1)C)C)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4/c1-4-13(16(21)20-17-18-10(2)7-11(3)19-17)24-12-5-6-14-15(8-12)23-9-22-14/h5-8,13H,4,9H2,1-3H3,(H,18,19,20,21)/t13-/m0/s1