N-(3-bromophenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-7-(4-methyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-7-(4-methylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: (3-bromophenyl)-[7-(4-methylpiperazino)-6-nitro-quinazolin-4-yl]amine Formula: C19H19BrN6O2 MolecularWeight: 443.29716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN6O2/c1-24-5-7-25(8-6-24)17-11-16-15(10-18(17)26(27)28)19(22-12-21-16)23-14-4-2-3-13(20)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,22,23)