N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-9-6-15(18-11(3)17-9)23-10(2)16(20)19-12-4-5-13-14(7-12)22-8-21-13/h4-7,10H,8H2,1-3H3,(H,19,20)