4-(4-tert-butylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(4-tert-butylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)SC

InChI

InChI=1S/C26H31N3OS/c1-18-22(24(30)27-17-9-12-19-10-7-6-8-11-19)23(29-25(28-18)31-5)20-13-15-21(16-14-20)26(2,3)4/h6-8,10-11,13-16H,9,12,17H2,1-5H3,(H,27,30)