ethyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)thiomorpholine-3-carboxylate CAS Name: 4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)thiomorpholine-3-carboxylate Traditional Name: 4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C13H16ClN3O3S2 MolecularWeight: 361.86744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C13H16ClN3O3S2/c1-3-20-12(19)9-7-22-5-4-17(9)11(18)10-8(14)6-15-13(16-10)21-2/h6,9H,3-5,7H2,1-2H3