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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCCC(C)(C(=O)OC)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C13H18ClN3O3S/c1-5-6-13(2,11(19)20-3)17-10(18)9-8(14)7-15-12(16-9)21-4/h7H,5-6H2,1-4H3,(H,17,18)