N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

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