N7-ethyl-N4-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(4-ethyl-1-piperazinyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-(4-ethylpiperazino)benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C23H29N7O2 MolecularWeight: 435.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCN(CC4)CC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCN(CC4)CC)[N+](=O)[O-]

InChI

InChI=1S/C23H29N7O2/c1-3-24-20-14-19-18(13-22(20)30(31)32)23(27-16-26-19)25-15-17-7-5-6-8-21(17)29-11-9-28(4-2)10-12-29/h5-8,13-14,16,24H,3-4,9-12,15H2,1-2H3,(H,25,26,27)