tert-butyl (2E)-5-cyano-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate

Systemtic Name: tert-butyl (2E)-5-cyano-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate Openeye Name: tert-butyl (2E)-2-tert-butoxycarbonylimino-5-cyano-4,6-dimethyl-pyrimidine-1-carboxylate CAS Name: (2E)-5-cyano-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-1-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-5-cyano-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate Traditional Name: (2E)-2-tert-butoxycarbonylimino-5-cyano-4,6-dimethyl-pyrimidine-1-carboxylic acid tert-butyl ester Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=NC(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C)C)C#N

Isomeric SMILES

CC1=C(C(=N/C(=N\C(=O)OC(C)(C)C)/N1C(=O)OC(C)(C)C)C)C#N

InChI

InChI=1S/C17H24N4O4/c1-10-12(9-18)11(2)21(15(23)25-17(6,7)8)13(19-10)20-14(22)24-16(3,4)5/h1-8H3/b20-13+