7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-oxidanylazetidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-oxidanylazetidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-hydroxy-1-azetidinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 7,8-bis(4-chlorophenyl)-2-ethyl-5-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C22H19Cl2N5O2 MolecularWeight: 456.32456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N2C(=N1)C(=C(N=C2N3CC(C3)O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCN1C(=O)N2C(=N1)C(=C(N=C2N3CC(C3)O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H19Cl2N5O2/c1-2-28-22(31)29-20(26-28)18(13-3-7-15(23)8-4-13)19(14-5-9-16(24)10-6-14)25-21(29)27-11-17(30)12-27/h3-10,17,30H,2,11-12H2,1H3