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

Systemtic Name: N-[(4-fluorophenyl)methyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-[(4-fluorophenyl)methyl]-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-[(4-fluorophenyl)methyl]-7-(4-methyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-[(4-fluorophenyl)methyl]-7-(4-methylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: (4-fluorobenzyl)-[7-(4-methylpiperazino)-6-nitro-quinazolin-4-yl]amine Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN6O2/c1-25-6-8-26(9-7-25)18-11-17-16(10-19(18)27(28)29)20(24-13-23-17)22-12-14-2-4-15(21)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,23,24)