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

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C16H18Br2N4O3 MolecularWeight: 474.14712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Br2N4O3/c1-2-25-16(24)22-5-3-21(4-6-22)9-13-19-14-11(15(23)20-13)7-10(17)8-12(14)18/h7-8H,2-6,9H2,1H3,(H,19,20,23)