methyl 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]-3-methyl-butanoate CAS Name: 2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C14H21N3O3S/c1-7(2)11(14(19)20-5)17-12(18)10-8(3)15-9(4)16-13(10)21-6/h7,11H,1-6H3,(H,17,18)