3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione

Systemtic Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione CAS Name: 3-(2-hydroxyethyl)-1,7,9-trimethylpurin-9-ium-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-1,7,9-trimethylpurin-9-ium-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-quinone Formula: C10H15N4O3+ MolecularWeight: 239.2511

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=O)N2CCO)C)C

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=O)N2CCO)C)C

InChI

InChI=1S/C10H15N4O3/c1-11-6-12(2)8-7(11)9(16)13(3)10(17)14(8)4-5-15/h6,15H,4-5H2,1-3H3/q+1