ethyl 4-azanyl-2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H16BrN3O4S/c1-3-24-15(22)10-7-19-16(20-14(10)18)25-8-12(21)9-4-5-13(23-2)11(17)6-9/h4-7H,3,8H2,1-2H3,(H2,18,19,20)