ethyl 4-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14BrN3O3S MolecularWeight: 396.25896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O3S/c1-2-22-14(21)11-7-18-15(19-13(11)17)23-8-12(20)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H2,17,18,19)