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

Systemtic Name: 3-methyl-7-(5-oxidanylhexyl)-1-pentyl-purine-2,6-dione Openeye Name: 7-(5-hydroxyhexyl)-3-methyl-1-pentyl-purine-2,6-dione CAS Name: 7-(5-hydroxyhexyl)-3-methyl-1-pentylpurine-2,6-dione IUPAC Name: 7-(5-hydroxyhexyl)-3-methyl-1-pentylpurine-2,6-dione Traditional Name: 1-amyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=CN2CCCCC(C)O)N(C1=O)C

InChI

InChI=1S/C17H28N4O3/c1-4-5-7-11-21-16(23)14-15(19(3)17(21)24)18-12-20(14)10-8-6-9-13(2)22/h12-13,22H,4-11H2,1-3H3