5-chloranyl-2-methylsulfanyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[2-(phenoxymethyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[2-(phenoxymethyl)benzyl]pyrimidine-4-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2COC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2COC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-27-20-23-12-17(21)18(24-20)19(25)22-11-14-7-5-6-8-15(14)13-26-16-9-3-2-4-10-16/h2-10,12H,11,13H2,1H3,(H,22,25)