tert-butyl 4-[7-(2-oxidanylideneimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(2-oxidanylideneimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-(2-oxo-1-imidazolidinyl)-4-quinazolinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(2-ketoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=NC3=C2C=CC(=C3)N4CCNC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=NC3=C2C=CC(=C3)N4CCNC4=O

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)29-20(28)25-9-6-14(7-10-25)18-16-5-4-15(12-17(16)23-13-24-18)26-11-8-22-19(26)27/h4-5,12-14H,6-11H2,1-3H3,(H,22,27)