6-nitro-7-piperazin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

Systemtic Name: 6-nitro-7-piperazin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine Openeye Name: 6-nitro-7-piperazin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine CAS Name: 6-nitro-7-(1-piperazinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-4-quinazolinamine IUPAC Name: 6-nitro-7-piperazin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine Traditional Name: (6-nitro-7-piperazino-quinazolin-4-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C22H26N6O5/c1-31-19-8-14(9-20(32-2)21(19)33-3)12-24-22-15-10-18(28(29)30)17(11-16(15)25-13-26-22)27-6-4-23-5-7-27/h8-11,13,23H,4-7,12H2,1-3H3,(H,24,25,26)