N-(4-bromanyl-3-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)Br)C)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)Br)C)SC

InChI

InChI=1S/C16H18BrN3OS/c1-4-5-14-12(9-18-16(20-14)22-3)15(21)19-11-6-7-13(17)10(2)8-11/h6-9H,4-5H2,1-3H3,(H,19,21)