[2-methoxy-5-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2-methoxy-5-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [2-methoxy-5-[[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-methoxy-5-[[[6-nitro-7-(1-piperazinyl)-2-quinazolinyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(6-nitro-7-piperazin-1-ylquinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-methoxy-5-[[(6-nitro-7-piperazino-quinazolin-2-yl)amino]methyl]phenyl] ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=CC(=C1)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=CC(=C1)CNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)OC

InChI

InChI=1S/C25H30N6O5/c1-25(2,3)23(32)36-22-11-16(5-6-21(22)35-4)14-27-24-28-15-17-12-20(31(33)34)19(13-18(17)29-24)30-9-7-26-8-10-30/h5-6,11-13,15,26H,7-10,14H2,1-4H3,(H,27,28,29)