5-chloranyl-2-methylsulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: N-[[3-(benzyloxymethyl)phenyl]methyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: N-[3-(benzoxymethyl)benzyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC(=CC=C2)COCC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC(=CC=C2)COCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-28-21-24-12-18(22)19(25-21)20(26)23-11-16-8-5-9-17(10-16)14-27-13-15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H,23,26)