[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butylphenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butylphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butylphenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3,5-ditert-butylphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butylphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3,5-ditert-butylphenyl)methanone Formula: C29H39N5O3 MolecularWeight: 505.65166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C(C)(C)C

InChI

InChI=1S/C29H39N5O3/c1-28(2,3)19-13-18(14-20(15-19)29(4,5)6)26(35)33-9-11-34(12-10-33)27-31-22-17-24(37-8)23(36-7)16-21(22)25(30)32-27/h13-17H,9-12H2,1-8H3,(H2,30,31,32)