5-bromanyl-2-[(2-methylphenyl)methylsulfanyl]-N-(phenylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(2-methylphenyl)methylsulfanyl]-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-bromo-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(2-methylphenyl)methylthio]-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-bromo-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-benzyl-5-bromo-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H18BrN3OS/c1-14-7-5-6-10-16(14)13-26-20-23-12-17(21)18(24-20)19(25)22-11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H,22,25)