2,6-bis(bromanyl)-4-[[(8-oxidanylidene-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[[(8-oxidanylidene-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate Openeye Name: 2,6-dibromo-4-[[(8-oxo-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate CAS Name: 2,6-dibromo-4-[[(8-oxo-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate IUPAC Name: 2,6-dibromo-4-[[(8-oxo-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate Traditional Name: 2,6-dibromo-4-[[(8-keto-7,9-dihydropurin-1-ium-6-yl)amino]methyl]phenolate Formula: C12H9Br2N5O2 MolecularWeight: 415.04016

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)[O-])Br)CNC2=[NH+]C=NC3=C2NC(=O)N3

Isomeric SMILES

C1=C(C=C(C(=C1Br)[O-])Br)CNC2=[NH+]C=NC3=C2NC(=O)N3

InChI

InChI=1S/C12H9Br2N5O2/c13-6-1-5(2-7(14)9(6)20)3-15-10-8-11(17-4-16-10)19-12(21)18-8/h1-2,4,20H,3H2,(H3,15,16,17,18,19,21)