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

Systemtic Name: ethyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-6-hydroxy-2-methyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate CAS Name: 6-hydroxy-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(2-phenylethynyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-phenylethynyl)pyrimidine-4-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-6-hydroxy-2-methyl-6-(2-phenylethynyl)pyrimidine-4-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(C(=N1)C)NC(=O)OC(C)(C)C)(C#CC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1=CC(N(C(=N1)C)NC(=O)OC(C)(C)C)(C#CC2=CC=CC=C2)O

InChI

InChI=1S/C21H25N3O5/c1-6-28-18(25)17-14-21(27,13-12-16-10-8-7-9-11-16)24(15(2)22-17)23-19(26)29-20(3,4)5/h7-11,14,27H,6H2,1-5H3,(H,23,26)