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

Systemtic Name: ethyl 4-azanyl-2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-bromo-4,5-diethoxy-benzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22BrN3O4S MolecularWeight: 456.35398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NC=C(C(=N2)N)C(=O)OCC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NC=C(C(=N2)N)C(=O)OCC)Br)OCC

InChI

InChI=1S/C18H22BrN3O4S/c1-4-24-14-7-11(13(19)8-15(14)25-5-2)10-27-18-21-9-12(16(20)22-18)17(23)26-6-3/h7-9H,4-6,10H2,1-3H3,(H2,20,21,22)