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

Systemtic Name: 1,3-dimethyl-7-(7-oxidanylheptyl)purine-2,6-dione Openeye Name: 7-(7-hydroxyheptyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(7-hydroxyheptyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(7-hydroxyheptyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(7-hydroxyheptyl)-1,3-dimethyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCO

InChI

InChI=1S/C14H22N4O3/c1-16-12-11(13(20)17(2)14(16)21)18(10-15-12)8-6-4-3-5-7-9-19/h10,19H,3-9H2,1-2H3