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

Systemtic Name: 3-methyl-7-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(CCCCN1C=NC2=C1C(=O)NC(=O)N2C)O

InChI

InChI=1S/C12H18N4O3/c1-8(17)5-3-4-6-16-7-13-10-9(16)11(18)14-12(19)15(10)2/h7-8,17H,3-6H2,1-2H3,(H,14,18,19)