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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C12H18N4O3/c1-4-8(17)5-6-16-7-13-10-9(16)11(18)15(3)12(19)14(10)2/h7-8,17H,4-6H2,1-3H3