5-(bromomethyl)-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-4H-pyrimidine-3-carboxamide

Systemtic Name: 5-(bromomethyl)-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-4H-pyrimidine-3-carboxamide Openeye Name: 5-(bromomethyl)-4-(2-chloroanilino)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide CAS Name: 5-(bromomethyl)-4-(2-chloroanilino)-2-(methylthio)-4H-pyrimidine-3-carboxamide IUPAC Name: 5-(bromomethyl)-4-(2-chloroanilino)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide Traditional Name: 5-(bromomethyl)-4-(2-chloroanilino)-2-(methylthio)-4H-pyrimidine-3-carboxamide Formula: C13H14BrClN4OS MolecularWeight: 389.69846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(N1C(=O)N)NC2=CC=CC=C2Cl)CBr

Isomeric SMILES

CSC1=NC=C(C(N1C(=O)N)NC2=CC=CC=C2Cl)CBr

InChI

InChI=1S/C13H14BrClN4OS/c1-21-13-17-7-8(6-14)11(19(13)12(16)20)18-10-5-3-2-4-9(10)15/h2-5,7,11,18H,6H2,1H3,(H2,16,20)