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

Systemtic Name: N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-phenyl-propanamide Openeye Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-phenyl-propanamide CAS Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-phenylpropanamide IUPAC Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-phenylpropanamide Traditional Name: N-[4-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-phenyl-propionamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C20H17N5O2/c26-18(11-6-14-4-2-1-3-5-14)24-15-7-9-16(10-8-15)25-19-17(12-23-25)20(27)22-13-21-19/h1-5,7-10,12-13,23H,6,11H2,(H,24,26)