3-(2-hydroxyethyl)-1,7-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 3-(2-hydroxyethyl)-1,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-1,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3-(2-hydroxyethyl)-1,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-1,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-1,7-dimethyl-8-nitro-xanthine Formula: C9H11N5O5 MolecularWeight: 269.21414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O5/c1-11-5-6(10-8(11)14(18)19)13(3-4-15)9(17)12(2)7(5)16/h15H,3-4H2,1-2H3