3,4-dimethyl-1-(4-oxidanylpentyl)purine-2,6-dione

Systemtic Name: 3,4-dimethyl-1-(4-oxidanylpentyl)purine-2,6-dione Openeye Name: 1-(4-hydroxypentyl)-3,4-dimethyl-purine-2,6-dione CAS Name: 1-(4-hydroxypentyl)-3,4-dimethylpurine-2,6-dione IUPAC Name: 1-(4-hydroxypentyl)-3,4-dimethylpurine-2,6-dione Traditional Name: 1-(4-hydroxypentyl)-3,4-dimethyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=NC=NC2(N(C1=O)C)C)O

Isomeric SMILES

CC(CCCN1C(=O)C2=NC=NC2(N(C1=O)C)C)O

InChI

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