ethyl 4-azanyl-2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-bromo-2,5-dimethoxy-benzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C16H18BrN3O4S/c1-4-24-15(21)10-7-19-16(20-14(10)18)25-8-9-5-13(23-3)11(17)6-12(9)22-2/h5-7H,4,8H2,1-3H3,(H2,18,19,20)