1,7-dimethyl-3-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 3-(5-hydroxyhexyl)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-(5-hydroxyhexyl)-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-(5-hydroxyhexyl)-1,7-dimethylpurine-2,6-dione Traditional Name: 3-(5-hydroxyhexyl)-1,7-dimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C)O

Isomeric SMILES

CC(CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C)O

InChI

InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-11-10(15(2)8-14-11)12(19)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3