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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C14H22N4O3/c1-10(19)7-5-4-6-8-18-9-15-12-11(18)13(20)17(3)14(21)16(12)2/h9-10,19H,4-8H2,1-3H3