1-methyl-3-(5-oxidanylhexyl)-7,8-dihydro-5H-purino[9,8-a]imidazole-2,4-dione

Systemtic Name: 1-methyl-3-(5-oxidanylhexyl)-7,8-dihydro-5H-purino[9,8-a]imidazole-2,4-dione Openeye Name: 3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-5H-purino[9,8-a]imidazole-2,4-dione CAS Name: 3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-5H-purino[9,8-a]imidazole-2,4-dione IUPAC Name: 3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-5H-purino[9,8-a]imidazole-2,4-dione Traditional Name: 3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-5H-purin[9,8-a]imidazole-2,4-quinone Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N(C1=O)C)N3CCN=C3N2)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N(C1=O)C)N3CCN=C3N2)O

InChI

InChI=1S/C14H21N5O3/c1-9(20)5-3-4-7-19-12(21)10-11(17(2)14(19)22)18-8-6-15-13(18)16-10/h9,20H,3-8H2,1-2H3,(H,15,16)