2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[(4-bromobenzyl)thio]-6-methyl-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SCC3=CC=C(C=C3)Br)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SCC3=CC=C(C=C3)Br)C)C(=O)N

InChI

InChI=1S/C20H20BrN3OS/c1-12-3-7-15(8-4-12)18-17(19(22)25)13(2)23-20(24-18)26-11-14-5-9-16(21)10-6-14/h3-10,18H,11H2,1-2H3,(H2,22,25)(H,23,24)