tert-butyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]benzoate

Systemtic Name: tert-butyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]benzoate Openeye Name: tert-butyl 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoate CAS Name: 4-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid tert-butyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C26H33N5O4/c1-26(2,3)35-24(32)16-6-8-17(9-7-16)28-18-10-12-31(13-11-18)25-29-20-15-22(34-5)21(33-4)14-19(20)23(27)30-25/h6-9,14-15,18,28H,10-13H2,1-5H3,(H2,27,29,30)