tert-butyl 4-[3-(5-azanyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-azanyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-amino-2-methyl-phenyl)-4-oxo-quinazolin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-(5-amino-2-methylphenyl)-4-oxo-6-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-amino-2-methylphenyl)-4-oxoquinazolin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-amino-2-methyl-phenyl)-4-keto-quinazolin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)N2C=NC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)N2C=NC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N5O3/c1-16-5-6-17(25)13-21(16)29-15-26-20-8-7-18(14-19(20)22(29)30)27-9-11-28(12-10-27)23(31)32-24(2,3)4/h5-8,13-15H,9-12,25H2,1-4H3