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

Systemtic Name: 3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-1,7-dimethyl-xanthine Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CCO)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CCO)C

InChI

InChI=1S/C9H12N4O3/c1-11-5-10-7-6(11)8(15)12(2)9(16)13(7)3-4-14/h5,14H,3-4H2,1-2H3