ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-6-hydroxy-2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate CAS Name: 6-hydroxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenyl-6-(2-phenylethynyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-6-hydroxy-2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylic acid ethyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(C(=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)(C#CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC(N(C(=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)(C#CC3=CC=CC=C3)O

InChI

InChI=1S/C26H27N3O5/c1-5-33-23(30)21-18-26(32,17-16-19-12-8-6-9-13-19)29(28-24(31)34-25(2,3)4)22(27-21)20-14-10-7-11-15-20/h6-15,18,32H,5H2,1-4H3,(H,28,31)