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

Systemtic Name: 3-ethyl-1-methyl-7-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 3-ethyl-7-(5-hydroxyhexyl)-1-methyl-purine-2,6-dione CAS Name: 3-ethyl-7-(5-hydroxyhexyl)-1-methylpurine-2,6-dione IUPAC Name: 3-ethyl-7-(5-hydroxyhexyl)-1-methylpurine-2,6-dione Traditional Name: 3-ethyl-7-(5-hydroxyhexyl)-1-methyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(C)O

InChI

InChI=1S/C14H22N4O3/c1-4-18-12-11(13(20)16(3)14(18)21)17(9-15-12)8-6-5-7-10(2)19/h9-10,19H,4-8H2,1-3H3