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

Systemtic Name: 1-hexyl-7-methyl-3-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-hexyl-3-(5-hydroxyhexyl)-7-methyl-purine-2,6-dione CAS Name: 1-hexyl-3-(5-hydroxyhexyl)-7-methylpurine-2,6-dione IUPAC Name: 1-hexyl-3-(5-hydroxyhexyl)-7-methylpurine-2,6-dione Traditional Name: 1-hexyl-3-(5-hydroxyhexyl)-7-methyl-xanthine Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCC(C)O

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCC(C)O

InChI

InChI=1S/C18H30N4O3/c1-4-5-6-8-12-22-17(24)15-16(19-13-20(15)3)21(18(22)25)11-9-7-10-14(2)23/h13-14,23H,4-12H2,1-3H3