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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N7O2/c1-3-24-21-13-20-19(12-22(21)30(31)32)23(27-16-26-20)25-14-17-6-4-5-7-18(17)15-29-10-8-28(2)9-11-29/h4-7,12-13,16,24H,3,8-11,14-15H2,1-2H3,(H,25,26,27)