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

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C17H18Br2N4O2 MolecularWeight: 470.15842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CC3=NC4=C(C=C(C=C4C(=N3)[O-])Br)Br

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CC3=NC4=C(C=C(C=C4C(=N3)[O-])Br)Br

InChI

InChI=1S/C17H18Br2N4O2/c18-11-7-12-15(13(19)8-11)20-14(21-16(12)24)9-22-3-5-23(6-4-22)17(25)10-1-2-10/h7-8,10H,1-6,9H2,(H,20,21,24)