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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3/c1-36-24-13-12-21(17-20(24)16-19-8-4-2-5-9-19)30-26(34)15-14-25-31-27-23(28(35)32-25)18-29-33(27)22-10-6-3-7-11-22/h2-13,17-18,29H,14-16H2,1H3,(H,30,34)