4-(2,6-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(2,6-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(2,6-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(2,6-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(2,6-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(2,6-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C(=NC(=N2)SC)C)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C(=NC(=N2)SC)C)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3OS/c1-16-10-8-11-17(2)20(16)22-21(18(3)26-24(27-22)29-4)23(28)25-15-9-14-19-12-6-5-7-13-19/h5-8,10-13H,9,14-15H2,1-4H3,(H,25,28)