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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)C4=CN=CN4)O

Isomeric SMILES

C1CC(CNC1)N2C=C(N=C(C2=O)N)C3=C(C=CC(=C3)C4=CN=CN4)O

InChI

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