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

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: 3-(1,3-benzodioxol-5-yl)propyl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCCCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCCCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c29-28(30)19-11-16-17(12-18(19)27-8-6-23-7-9-27)25-13-26-22(16)24-5-1-2-15-3-4-20-21(10-15)32-14-31-20/h3-4,10-13,23H,1-2,5-9,14H2,(H,24,25,26)