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

Systemtic Name: 3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-phenyl-azetidine-1-carboxamide Openeye Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-phenyl-azetidine-1-carboxamide CAS Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-phenyl-1-azetidinecarboxamide IUPAC Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-phenylazetidine-1-carboxamide Traditional Name: 3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-phenyl-azetidine-1-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c28-20-17-11-22-27(16-9-5-2-6-10-16)19(17)24-18(25-20)14-12-26(13-14)21(29)23-15-7-3-1-4-8-15/h1,3-4,7-8,11,14,16,22H,2,5-6,9-10,12-13H2,(H,23,29)