ethyl 4-chloranyl-2-[(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-[(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-chloro-2-[(1-ethoxycarbonyl-2-methyl-propyl)amino]pyrimidine-5-carboxylate CAS Name: 4-chloro-2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-[(1-carbethoxy-2-methyl-propyl)amino]-4-chloro-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H20ClN3O4 MolecularWeight: 329.7793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1Cl)NC(C(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1Cl)NC(C(C)C)C(=O)OCC

InChI

InChI=1S/C14H20ClN3O4/c1-5-21-12(19)9-7-16-14(18-11(9)15)17-10(8(3)4)13(20)22-6-2/h7-8,10H,5-6H2,1-4H3,(H,16,17,18)