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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCCCO

InChI

InChI=1S/C12H18N4O3/c1-15-10-9(11(18)14-12(15)19)16(8-13-10)6-4-2-3-5-7-17/h8,17H,2-7H2,1H3,(H,14,18,19)