5-chloranyl-N-(3-methyl-2-phenyl-butyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-methyl-2-phenyl-butyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-methyl-2-phenyl-butyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-methyl-2-phenylbutyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-methyl-2-phenylbutyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-methyl-2-phenyl-butyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC=CC=C2

InChI

InChI=1S/C17H20ClN3OS/c1-11(2)13(12-7-5-4-6-8-12)9-19-16(22)15-14(18)10-20-17(21-15)23-3/h4-8,10-11,13H,9H2,1-3H3,(H,19,22)