N7-ethyl-6-nitro-N4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[3-[4-(2-pyridyl)piperazino]propylamino]quinazolin-7-yl]amine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCN3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCN3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N8O2/c1-2-23-19-15-18-17(14-20(19)30(31)32)22(27-16-26-18)25-8-5-9-28-10-12-29(13-11-28)21-6-3-4-7-24-21/h3-4,6-7,14-16,23H,2,5,8-13H2,1H3,(H,25,26,27)