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

Systemtic Name: 4-(3,4-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(3,4-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(3,4-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=C(C=C1)C2=C(C(=NC(=N2)SC)C)C(=O)NCCCC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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