tert-butyl 4-oxidanylidene-5-phenylmethoxy-2-pyridin-4-yl-1H-pyrimidine-6-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-5-phenylmethoxy-2-pyridin-4-yl-1H-pyrimidine-6-carboxylate Openeye Name: tert-butyl 5-benzyloxy-4-oxo-2-(4-pyridyl)-1H-pyrimidine-6-carboxylate CAS Name: 4-oxo-5-phenylmethoxy-2-pyridin-4-yl-1H-pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-5-phenylmethoxy-2-pyridin-4-yl-1H-pyrimidine-6-carboxylate Traditional Name: 5-benzoxy-4-keto-2-(4-pyridyl)-1H-pyrimidine-6-carboxylic acid tert-butyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=O)N=C(N1)C2=CC=NC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=O)N=C(N1)C2=CC=NC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-21(2,3)28-20(26)16-17(27-13-14-7-5-4-6-8-14)19(25)24-18(23-16)15-9-11-22-12-10-15/h4-12H,13H2,1-3H3,(H,23,24,25)