N-(4-acetamidophenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C21H18N6O3 MolecularWeight: 402.40602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O3/c1-14(28)24-15-7-9-16(10-8-15)25-19(29)12-26-13-22-20-18(21(26)30)11-23-27(20)17-5-3-2-4-6-17/h2-11,13H,12H2,1H3,(H,24,28)(H,25,29)