2,6-ditert-butyl-4-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[[6-nitro-7-(1-piperazinyl)-2-quinazolinyl]amino]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[(6-nitro-7-piperazin-1-ylquinazolin-2-yl)amino]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[(6-nitro-7-piperazino-quinazolin-2-yl)amino]methyl]phenol Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C27H36N6O3/c1-26(2,3)19-11-17(12-20(24(19)34)27(4,5)6)15-29-25-30-16-18-13-23(33(35)36)22(14-21(18)31-25)32-9-7-28-8-10-32/h11-14,16,28,34H,7-10,15H2,1-6H3,(H,29,30,31)