ethyl 4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15ClN4O3S2 MolecularWeight: 398.8876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=NC=C(C=C2)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=NC=C(C=C2)Cl)SC

InChI

InChI=1S/C15H15ClN4O3S2/c1-3-23-14(22)10-7-18-15(24-2)20-13(10)25-8-12(21)19-11-5-4-9(16)6-17-11/h4-7H,3,8H2,1-2H3,(H,17,19,21)