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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-N-ethyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-ethyl-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-ethyl-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-ethyl-2-(methylthio)-N-piperonyl-pyrimidine-4-carboxamide Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H16ClN3O3S/c1-3-20(8-10-4-5-12-13(6-10)23-9-22-12)15(21)14-11(17)7-18-16(19-14)24-2/h4-7H,3,8-9H2,1-2H3