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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[4-(3-pyridylmethoxy)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(3-pyridylmethoxy)benzyl]pyrimidine-4-carboxamide Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-27-19-23-11-16(20)17(24-19)18(25)22-10-13-4-6-15(7-5-13)26-12-14-3-2-8-21-9-14/h2-9,11H,10,12H2,1H3,(H,22,25)