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

Systemtic Name: N7-ethyl-N4-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[4-[2-(4-methylpiperazino)ethoxy]benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C24H31N7O3 MolecularWeight: 465.54804

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)OCCN4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)OCCN4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H31N7O3/c1-3-25-22-15-21-20(14-23(22)31(32)33)24(28-17-27-21)26-16-18-4-6-19(7-5-18)34-13-12-30-10-8-29(2)9-11-30/h4-7,14-15,17,25H,3,8-13,16H2,1-2H3,(H,26,27,28)