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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

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