N-(1,3-benzodioxol-5-yl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N5O4/c1-14-24-21-17(12-23-27(21)16-5-3-2-4-6-16)22(29)26(14)10-9-20(28)25-15-7-8-18-19(11-15)31-13-30-18/h2-8,11-12H,9-10,13H2,1H3,(H,25,28)