8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(hydroxymethyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-methylol-xanthine Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O3/c1-11-5(4-14)10-7-6(11)8(15)13(3)9(16)12(7)2/h14H,4H2,1-3H3