6,8-bis(bromanyl)-2-[[cyclopentyl(cyclopropyl)azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[[cyclopentyl(cyclopropyl)azaniumyl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[cyclopentyl(cyclopropyl)ammonio]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[cyclopentyl(cyclopropyl)ammonio]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[cyclopentyl(cyclopropyl)azaniumyl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[cyclopentyl(cyclopropyl)ammonio]methyl]quinazolin-4-olate Formula: C17H19Br2N3O MolecularWeight: 441.16026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4CC4

Isomeric SMILES

C1CCC(C1)[NH+](CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4CC4

InChI

InChI=1S/C17H19Br2N3O/c18-10-7-13-16(14(19)8-10)20-15(21-17(13)23)9-22(12-5-6-12)11-3-1-2-4-11/h7-8,11-12H,1-6,9H2,(H,20,21,23)