N-(1,3-benzodioxol-5-yl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C13H10ClN3O3S/c1-21-13-15-5-8(14)11(17-13)12(18)16-7-2-3-9-10(4-7)20-6-19-9/h2-5H,6H2,1H3,(H,16,18)