N-[4,5-bis(chloranyl)-2-fluoranyl-phenyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine

Systemtic Name: N-[4,5-bis(chloranyl)-2-fluoranyl-phenyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-(4,5-dichloro-2-fluoro-phenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-(4,5-dichloro-2-fluorophenyl)-7-(4-methyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-(4,5-dichloro-2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: (4,5-dichloro-2-fluoro-phenyl)-[7-(4-methylpiperazino)-6-nitro-quinazolin-4-yl]amine Formula: C19H17Cl2FN6O2 MolecularWeight: 451.281683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4F)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4F)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17Cl2FN6O2/c1-26-2-4-27(5-3-26)17-9-15-11(6-18(17)28(29)30)19(24-10-23-15)25-16-8-13(21)12(20)7-14(16)22/h6-10H,2-5H2,1H3,(H,23,24,25)