1-[5,6-bis(oxidanyl)hexyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-[5,6-bis(oxidanyl)hexyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-(5,6-dihydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5,6-dihydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(5,6-dihydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(5,6-dihydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCC(CO)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCC(CO)O)NC=N2

InChI

InChI=1S/C12H18N4O4/c1-15-10-9(13-7-14-10)11(19)16(12(15)20)5-3-2-4-8(18)6-17/h7-8,17-18H,2-6H2,1H3,(H,13,14)