tert-butyl 1-[3-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-(4-bromo-2-methyl-phenyl)-4-oxo-quinazolin-6-yl]piperazine-2-carboxylate CAS Name: 1-[3-(4-bromo-2-methylphenyl)-4-oxo-6-quinazolinyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(4-bromo-2-methylphenyl)-4-oxoquinazolin-6-yl]piperazine-2-carboxylate Traditional Name: 1-[3-(4-bromo-2-methyl-phenyl)-4-keto-quinazolin-6-yl]piperazine-2-carboxylic acid tert-butyl ester Formula: C24H27BrN4O3 MolecularWeight: 499.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C=NC3=C(C2=O)C=C(C=C3)N4CCNCC4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C=NC3=C(C2=O)C=C(C=C3)N4CCNCC4C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27BrN4O3/c1-15-11-16(25)5-8-20(15)29-14-27-19-7-6-17(12-18(19)22(29)30)28-10-9-26-13-21(28)23(31)32-24(2,3)4/h5-8,11-12,14,21,26H,9-10,13H2,1-4H3