N-(3-chlorophenyl)-3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide CAS Name: N-(3-chlorophenyl)-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-azetidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H23ClN6O2/c22-14-5-4-6-15(9-14)24-21(30)27-11-13(12-27)18-25-19-17(20(29)26-18)10-23-28(19)16-7-2-1-3-8-16/h4-6,9-10,13,16,23H,1-3,7-8,11-12H2,(H,24,30)