3,7-dimethyl-1-(5-oxidanylpentyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylpentyl)purine-2,6-dione Openeye Name: 1-(5-hydroxypentyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxypentyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-hydroxypentyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxypentyl)-3,7-dimethyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3/c1-14-8-13-10-9(14)11(18)16(12(19)15(10)2)6-4-3-5-7-17/h8,17H,3-7H2,1-2H3