7-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(3-hydroxy-2-methyl-2-methylol-propyl)-1,3-dimethyl-8-nitro-xanthine Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)(CO)CO

Isomeric SMILES

CC(CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)(CO)CO

InChI

InChI=1S/C12H17N5O6/c1-12(5-18,6-19)4-16-7-8(13-10(16)17(22)23)14(2)11(21)15(3)9(7)20/h18-19H,4-6H2,1-3H3