methyl 6-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]hexanoate CAS Name: 6-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]hexanoate Traditional Name: 6-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]hexanoic acid methyl ester Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C13H18ClN3O3S/c1-20-10(18)6-4-3-5-7-15-12(19)11-9(14)8-16-13(17-11)21-2/h8H,3-7H2,1-2H3,(H,15,19)