tert-butyl 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-ethoxy-2-oxo-ethyl)-4-oxo-quinazolin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-(2-ethoxy-2-oxoethyl)-4-oxo-6-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-ethoxy-2-oxoethyl)-4-oxoquinazolin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-ethoxy-2-keto-ethyl)-4-keto-quinazolin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O5/c1-5-29-18(26)13-25-14-22-17-7-6-15(12-16(17)19(25)27)23-8-10-24(11-9-23)20(28)30-21(2,3)4/h6-7,12,14H,5,8-11,13H2,1-4H3