5-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H25N5O2 MolecularWeight: 451.5197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-19-15-23(20(2)31(19)14-13-21-9-5-3-6-10-21)25(33)17-30-18-28-26-24(27(30)34)16-29-32(26)22-11-7-4-8-12-22/h3-12,15-16,18H,13-14,17H2,1-2H3