N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: homoveratryl-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)OC

InChI

InChI=1S/C22H26N6O4/c1-31-20-4-3-15(11-21(20)32-2)5-6-24-22-25-14-16-12-19(28(29)30)18(13-17(16)26-22)27-9-7-23-8-10-27/h3-4,11-14,23H,5-10H2,1-2H3,(H,24,25,26)