7-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H20BrN6O3+ MolecularWeight: 412.2617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C)O)C)Br

InChI

InChI=1S/C15H19BrN6O3/c1-8-11(16)9(2)22(18-8)6-10(23)5-21-7-17-13-12(21)14(24)20(4)15(25)19(13)3/h7,10,23H,5-6H2,1-4H3/p+1