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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-10-7-11(2)18-16(17-10)23-6-5-15(20)19-12-3-4-13-14(8-12)22-9-21-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20)