2-chloranyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-chloranyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-tert-butoxy-2-oxo-ethyl)amino]-2-chloro-pyrimidine-5-carboxylic acid CAS Name: 2-chloro-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-chloro-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrimidine-5-carboxylic acid Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)amino]-2-chloro-pyrimidine-5-carboxylic acid Formula: C11H14ClN3O4 MolecularWeight: 287.69956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1=NC(=NC=C1C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNC1=NC(=NC=C1C(=O)O)Cl

InChI

InChI=1S/C11H14ClN3O4/c1-11(2,3)19-7(16)5-13-8-6(9(17)18)4-14-10(12)15-8/h4H,5H2,1-3H3,(H,17,18)(H,13,14,15)