1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)urea

Systemtic Name: 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)urea Openeye Name: 1-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea CAS Name: 1-(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea IUPAC Name: 1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea Traditional Name: 1-(4-hydroxy-5-keto-cyclohepta-1,3,6-trien-1-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1NC(=O)NCCC2=CN=CN2)O

Isomeric SMILES

C1=CC(=O)C(=CC=C1NC(=O)NCCC2=CN=CN2)O

InChI

InChI=1S/C13H14N4O3/c18-11-3-1-9(2-4-12(11)19)17-13(20)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,18,19)(H2,15,17,20)