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

Systemtic Name: N7-ethyl-N4-[[2-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-[1-(4-methyl-1-piperazinyl)ethyl]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-[1-(4-methylpiperazino)ethyl]benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3C(C)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3C(C)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H31N7O2/c1-4-25-22-14-21-20(13-23(22)31(32)33)24(28-16-27-21)26-15-18-7-5-6-8-19(18)17(2)30-11-9-29(3)10-12-30/h5-8,13-14,16-17,25H,4,9-12,15H2,1-3H3,(H,26,27,28)