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

Systemtic Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one; methanol Openeye Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one; methanol CAS Name: 1,3-bis(1H-imidazol-5-yl)-2-propanone; methanol IUPAC Name: 1,3-bis(1H-imidazol-5-yl)propan-2-one; methanol Traditional Name: 1,3-bis(1H-imidazol-5-yl)acetone; methanol Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O.CH4O/c14-9(1-7-3-10-5-12-7)2-8-4-11-6-13-8;1-2/h3-6H,1-2H2,(H,10,12)(H,11,13);2H,1H3