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

Systemtic Name: ethyl 2-chloranyl-4-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-chloro-4-[(1-ethoxycarbonyl-3-methyl-butyl)amino]pyrimidine-5-carboxylate CAS Name: 2-chloro-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-[(1-carbethoxy-3-methyl-butyl)amino]-2-chloro-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H22ClN3O4 MolecularWeight: 343.80588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O4/c1-5-22-13(20)10-8-17-15(16)19-12(10)18-11(7-9(3)4)14(21)23-6-2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19)