tert-butyl 4-[7-methoxy-6-(2-methoxy-2-oxidanylidene-ethoxy)quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-methoxy-6-(2-methoxy-2-oxidanylidene-ethoxy)quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-methoxy-6-(2-methoxy-2-oxo-ethoxy)quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-methoxy-6-(2-methoxy-2-oxoethoxy)-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-methoxy-6-(2-methoxy-2-oxoethoxy)quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2-keto-2-methoxy-ethoxy)-7-methoxy-quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OCC(=O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OCC(=O)OC)OC

InChI

InChI=1S/C21H28N4O6/c1-21(2,3)31-20(27)25-8-6-24(7-9-25)19-14-10-17(30-12-18(26)29-5)16(28-4)11-15(14)22-13-23-19/h10-11,13H,6-9,12H2,1-5H3