5-bromanyl-N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(4-methoxyphenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(4-methoxyphenyl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-13-4-3-5-14(10-13)12-27-20-22-11-17(21)18(24-20)19(25)23-15-6-8-16(26-2)9-7-15/h3-11H,12H2,1-2H3,(H,23,25)