2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methylpentanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-methyl-valeric acid Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C12H16ClN3O3S/c1-4-6(2)8(11(18)19)15-10(17)9-7(13)5-14-12(16-9)20-3/h5-6,8H,4H2,1-3H3,(H,15,17)(H,18,19)