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

Systemtic Name: 1-decyl-3-methyl-7-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-decyl-7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 1-decyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 1-decyl-7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 1-decyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C22H38N4O3 MolecularWeight: 406.56212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

InChI

InChI=1S/C22H38N4O3/c1-4-5-6-7-8-9-10-12-16-26-21(28)19-20(24(3)22(26)29)23-17-25(19)15-13-11-14-18(2)27/h17-18,27H,4-16H2,1-3H3