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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-bromo-3-chloroanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-bromo-3-chloro-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14BrClN4O3S MolecularWeight: 445.71866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)Br)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)Br)Cl

InChI

InChI=1S/C15H14BrClN4O3S/c1-2-24-14(23)9-6-19-15(21-13(9)18)25-7-12(22)20-8-3-4-10(16)11(17)5-8/h3-6H,2,7H2,1H3,(H,20,22)(H2,18,19,21)