2-butyl-1-methyl-6,7-bis(oxidanyl)cyclohepta[d]imidazol-5-one

Systemtic Name: 2-butyl-1-methyl-6,7-bis(oxidanyl)cyclohepta[d]imidazol-5-one Openeye Name: 2-butyl-6,7-dihydroxy-1-methyl-cyclohepta[d]imidazol-5-one CAS Name: 2-butyl-6,7-dihydroxy-1-methyl-5-cyclohepta[d]imidazolone IUPAC Name: 2-butyl-6,7-dihydroxy-1-methylcyclohepta[d]imidazol-5-one Traditional Name: 2-butyl-6,7-dihydroxy-1-methyl-cyclohept[d]imidazol-5-one Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=O)C(=C(C=C2N1C)O)O

Isomeric SMILES

CCCCC1=NC2=CC(=O)C(=C(C=C2N1C)O)O

InChI

InChI=1S/C13H16N2O3/c1-3-4-5-12-14-8-6-10(16)13(18)11(17)7-9(8)15(12)2/h6-7H,3-5H2,1-2H3,(H2,16,17,18)