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

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-phenethylpropanamide IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethylpropanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c28-20(23-13-11-17-7-3-1-4-8-17)12-14-26-16-24-21-19(22(26)29)15-25-27(21)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,23,28)