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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-piperonyl-pyrimidine-4-carboxamide Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C14H12ClN3O3S/c1-22-14-17-6-9(15)12(18-14)13(19)16-5-8-2-3-10-11(4-8)21-7-20-10/h2-4,6H,5,7H2,1H3,(H,16,19)