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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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