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

Systemtic Name: 2,6-dimethyl-4-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenol Openeye Name: 2,6-dimethyl-4-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenol CAS Name: 2,6-dimethyl-4-[[[6-nitro-7-(1-piperazinyl)-2-quinazolinyl]amino]methyl]phenol IUPAC Name: 2,6-dimethyl-4-[[(6-nitro-7-piperazin-1-ylquinazolin-2-yl)amino]methyl]phenol Traditional Name: 2,6-dimethyl-4-[[(6-nitro-7-piperazino-quinazolin-2-yl)amino]methyl]phenol Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C21H24N6O3/c1-13-7-15(8-14(2)20(13)28)11-23-21-24-12-16-9-19(27(29)30)18(10-17(16)25-21)26-5-3-22-4-6-26/h7-10,12,22,28H,3-6,11H2,1-2H3,(H,23,24,25)