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

Systemtic Name: N4-[[2-(cyclohexylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(cyclohexylamino)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(cyclohexylamino)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(cyclohexylamino)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: cyclohexyl-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O2/c1-2-24-21-13-20-18(12-22(21)29(30)31)23(27-15-26-20)25-14-16-8-6-7-11-19(16)28-17-9-4-3-5-10-17/h6-8,11-13,15,17,24,28H,2-5,9-10,14H2,1H3,(H,25,26,27)