3,7,8-trimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,7,8-trimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7,8-trimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7,8-trimethylpurine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7,8-trimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3,7,8-trimethyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

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