N-cycloheptyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-cycloheptyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-cycloheptyl-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-cycloheptyl-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-cycloheptyl-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-cycloheptyl-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

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