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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H20BrN3O2S/c1-3-27-17-9-7-16(8-10-17)24-20(26)19-18(22)12-23-21(25-19)28-13-15-6-4-5-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,24,26)