6,8-bis(bromanyl)-2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,8-dibromo-quinazolin-4-olate CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-6,8-dibromo-4-quinazolinolate IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,8-dibromoquinazolin-4-olate Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,8-dibromo-quinazolin-4-olate Formula: C15H16Br2N4O2 MolecularWeight: 444.12114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

InChI

InChI=1S/C15H16Br2N4O2/c1-9(22)21-4-2-20(3-5-21)8-13-18-14-11(15(23)19-13)6-10(16)7-12(14)17/h6-7H,2-5,8H2,1H3,(H,18,19,23)