8-bromanyl-3-methyl-7-(2-oxidanylpropyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-oxidanylpropyl)-9H-purin-7-ium-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxypropyl)-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 8-bromo-7-(2-hydroxypropyl)-3-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxypropyl)-3-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxypropyl)-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C9H12BrN4O3+ MolecularWeight: 304.12058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=C(NC2=C1C(=O)NC(=O)N2C)Br)O

Isomeric SMILES

CC(C[N+]1=C(NC2=C1C(=O)NC(=O)N2C)Br)O

InChI

InChI=1S/C9H11BrN4O3/c1-4(15)3-14-5-6(11-8(14)10)13(2)9(17)12-7(5)16/h4,15H,3H2,1-2H3,(H,12,16,17)/p+1