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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[(4-bromobenzyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H18BrN3OS/c1-12-16(18(21)24)17(14-5-3-2-4-6-14)23-19(22-12)25-11-13-7-9-15(20)10-8-13/h2-10,17H,11H2,1H3,(H2,21,24)(H,22,23)