3-azanyl-5-(5-imidazol-1-yl-2-oxidanyl-phenyl)-1-piperidin-3-yl-pyrazin-2-one

Systemtic Name: 3-azanyl-5-(5-imidazol-1-yl-2-oxidanyl-phenyl)-1-piperidin-3-yl-pyrazin-2-one Openeye Name: 3-amino-5-(2-hydroxy-5-imidazol-1-yl-phenyl)-1-(3-piperidyl)pyrazin-2-one CAS Name: 3-amino-5-[2-hydroxy-5-(1-imidazolyl)phenyl]-1-(3-piperidinyl)-2-pyrazinone IUPAC Name: 3-amino-5-(2-hydroxy-5-imidazol-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one Traditional Name: 3-amino-5-(2-hydroxy-5-imidazol-1-yl-phenyl)-1-(3-piperidyl)pyrazin-2-one Formula: C18H20N6O2 MolecularWeight: 352.3904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)N4C=CN=C4)O

Isomeric SMILES

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)N4C=CN=C4)O

InChI

InChI=1S/C18H20N6O2/c19-17-18(26)24(13-2-1-5-20-9-13)10-15(22-17)14-8-12(3-4-16(14)25)23-7-6-21-11-23/h3-4,6-8,10-11,13,20,25H,1-2,5,9H2,(H2,19,22)