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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-[[4-(2-pyridyl)piperazino]methyl]benzyl]amino]quinazolin-7-yl]amine Formula: C27H30N8O2 MolecularWeight: 498.5795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C27H30N8O2/c1-2-28-24-16-23-22(15-25(24)35(36)37)27(32-19-31-23)30-17-20-7-3-4-8-21(20)18-33-11-13-34(14-12-33)26-9-5-6-10-29-26/h3-10,15-16,19,28H,2,11-14,17-18H2,1H3,(H,30,31,32)