ethyl 2-chloranyl-4-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-chloro-4-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]pyrimidine-5-carboxylate CAS Name: 2-chloro-4-[(1-ethoxy-1-oxopropan-2-yl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(1-ethoxy-1-oxopropan-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-chloro-4-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(C)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(C)C(=O)OCC)Cl

InChI

InChI=1S/C12H16ClN3O4/c1-4-19-10(17)7(3)15-9-8(11(18)20-5-2)6-14-12(13)16-9/h6-7H,4-5H2,1-3H3,(H,14,15,16)