2-methylsulfanyl-4-phenyl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide Openeye Name: N-(4-isopropylphenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-(4-propan-2-ylphenyl)-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-p-cumenyl-4-phenyl-pyrimidine-5-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-14(2)15-9-11-17(12-10-15)23-20(25)18-13-22-21(26-3)24-19(18)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,25)