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

Systemtic Name: 5-bromanyl-N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[(4-methoxyphenyl)methyl]-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(3-methylbenzyl)thio]-N-p-anisyl-pyrimidine-4-carboxamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-14-4-3-5-16(10-14)13-28-21-24-12-18(22)19(25-21)20(26)23-11-15-6-8-17(27-2)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)