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

Systemtic Name: ethyl 4-azanyl-2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(5-chloro-2-hydroxy-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(5-chloro-2-hydroxy-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15ClN4O4S MolecularWeight: 382.822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O4S/c1-2-24-14(23)9-6-18-15(20-13(9)17)25-7-12(22)19-10-5-8(16)3-4-11(10)21/h3-6,21H,2,7H2,1H3,(H,19,22)(H2,17,18,20)