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

Systemtic Name: tert-butyl 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-ethoxy-2-oxo-ethyl)-2,4-dioxo-1H-quinazolin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-quinazolin-6-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-quinazolin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-ethoxy-2-keto-ethyl)-2,4-diketo-1H-quinazolin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC1=O

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC1=O

InChI

InChI=1S/C21H28N4O6/c1-5-30-17(26)13-25-18(27)15-12-14(6-7-16(15)22-19(25)28)23-8-10-24(11-9-23)20(29)31-21(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,22,28)