N-cycloheptyl-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-cycloheptyl-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-cycloheptyl-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-cycloheptyl-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-cycloheptyl-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-cycloheptyl-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c27-19(23-15-8-4-1-2-5-9-15)13-12-18-24-20-17(21(28)25-18)14-22-26(20)16-10-6-3-7-11-16/h3,6-7,10-11,14-15,22H,1-2,4-5,8-9,12-13H2,(H,23,27)