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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O3S/c1-27-20-22-11-15(18(23-20)14-5-3-2-4-6-14)19(24)21-10-13-7-8-16-17(9-13)26-12-25-16/h2-9,11H,10,12H2,1H3,(H,21,24)