tert-butyl 4-(3-ethyl-1-methyl-2-oxidanylidene-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-ethyl-1-methyl-2-oxidanylidene-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-ethyl-1-methyl-2-oxo-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylate CAS Name: 4-(3-ethyl-1-methyl-2-oxo-8-imidazo[4,5-g]quinazolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-ethyl-1-methyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(3-ethyl-2-keto-1-methyl-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=O)OC(C)(C)C)N(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=O)OC(C)(C)C)N(C1=O)C

InChI

InChI=1S/C21H28N6O3/c1-6-27-17-12-15-14(11-16(17)24(5)19(27)28)18(23-13-22-15)25-7-9-26(10-8-25)20(29)30-21(2,3)4/h11-13H,6-10H2,1-5H3