4,6-Dioxo-1,2,5,6-tetrahydro-4H-benzo[g]imidazo[1,2,3-ij]pteridin-3-ium chloride
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Product Code | F766245 |
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Product Name | 4,6-Dioxo-1,2,5,6-tetrahydro-4H-benzo[g]imidazo[1,2,3-ij]pteridin-3-ium chloride |
CAS | 114853-42-8 |
Purity | 98% |
Molecular weight | 276.68 |
IUPAC Name | 10,12-dioxo-1,8,11,13λ⁵-tetraazatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-2,4,6,8,13(16)-pentaen-13-ylium chloride |
SMILES | [Cl-].O=C1NC(=O)[N+]2=C3N(CC2)C2=CC=CC=C2N=C13 |
INCHI Code | InChI=1S/C12H8N4O2.ClH/c17-10-9-11-15(5-6-16(11)12(18)14-10)8-4-2-1-3-7(8)13-9;/h1-4H,5-6H2;1H |
Asymmetric atoms | 0 |
LogP | -2.598164 |
H bond acceptors | 4 |
H bond donors | 1 |
fsp3 | 0.16666667 |
Concept Codes | Heterocycle, Heteroaromatic, Chloride, 5-Membered heterocycle, 6-Membered heteroaromatic, 6-Membered heterocycle, Cyclic, Aromatic |