N-[2-(4-fluorophenyl)ethyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-2-amine

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-2-amine Openeye Name: N-[2-(4-fluorophenyl)ethyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-2-amine CAS Name: N-[2-(4-fluorophenyl)ethyl]-7-(4-methyl-1-piperazinyl)-6-nitro-2-quinazolinamine IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-7-(4-methylpiperazin-1-yl)-6-nitroquinazolin-2-amine Traditional Name: 2-(4-fluorophenyl)ethyl-[7-(4-methylpiperazino)-6-nitro-quinazolin-2-yl]amine Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C=NC(=NC3=C2)NCCC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN6O2/c1-26-8-10-27(11-9-26)19-13-18-16(12-20(19)28(29)30)14-24-21(25-18)23-7-6-15-2-4-17(22)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,23,24,25)