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

Systemtic Name: 7-butyl-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-methylol-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CO

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CO

InChI

InChI=1S/C12H18N4O3/c1-4-5-6-16-8(7-17)13-10-9(16)11(18)15(3)12(19)14(10)2/h17H,4-7H2,1-3H3