2-methylsulfanyl-4-phenyl-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-(2,4,6-trimethylphenyl)-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide Traditional Name: N-mesityl-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C

InChI

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