1,3-bis(1H-imidazol-5-yl)propan-2-one

Systemtic Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one Openeye Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one CAS Name: 1,3-bis(1H-imidazol-5-yl)-2-propanone IUPAC Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one Traditional Name: 1,3-bis(1H-imidazol-5-yl)acetone Formula: C9H10N4O MolecularWeight: 190.2019

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(=O)CC2=CN=CN2

Isomeric SMILES

C1=C(NC=N1)CC(=O)CC2=CN=CN2

InChI

InChI=1S/C9H10N4O/c14-9(1-7-3-10-5-12-7)2-8-4-11-6-13-8/h3-6H,1-2H2,(H,10,12)(H,11,13)