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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO

InChI

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