N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C

InChI

InChI=1S/C21H21N3OS/c1-4-15-12-8-9-14(2)18(15)23-20(25)17-13-22-21(26-3)24-19(17)16-10-6-5-7-11-16/h5-13H,4H2,1-3H3,(H,23,25)