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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: N-[[3-[anilino(oxo)methyl]phenyl]methyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[3-(phenylcarbamoyl)benzyl]pyrimidine-4-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-28-20-23-12-16(21)17(25-20)19(27)22-11-13-6-5-7-14(10-13)18(26)24-15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,22,27)(H,24,26)