N-(2-bromophenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-bromophenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(2-bromophenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(2-bromophenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-bromophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-bromophenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C15H16BrN3OS MolecularWeight: 366.27604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC=CC=C2Br)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC=CC=C2Br)SC

InChI

InChI=1S/C15H16BrN3OS/c1-3-6-12-10(9-17-15(19-12)21-2)14(20)18-13-8-5-4-7-11(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)