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

Systemtic Name: 1-butyl-3-methyl-7-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-butyl-7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 1-butyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 1-butyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 1-butyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

InChI

InChI=1S/C16H26N4O3/c1-4-5-10-20-15(22)13-14(18(3)16(20)23)17-11-19(13)9-7-6-8-12(2)21/h11-12,21H,4-10H2,1-3H3