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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C29H39N5O4 MolecularWeight: 521.65106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C29H39N5O4/c1-28(2,3)19-13-17(14-20(24(19)35)29(4,5)6)26(36)33-9-11-34(12-10-33)27-31-21-16-23(38-8)22(37-7)15-18(21)25(30)32-27/h13-16,35H,9-12H2,1-8H3,(H2,30,31,32)