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

Systemtic Name: N-[4-(4-ethoxyphenoxy)phenyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[4-(4-ethoxyphenoxy)phenyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[4-(4-ethoxyphenoxy)phenyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[4-(4-ethoxyphenoxy)phenyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[4-(4-ethoxyphenoxy)phenyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C22H21N5O4/c1-3-30-16-8-10-18(11-9-16)31-17-6-4-15(5-7-17)25-20(28)13-27-14-23-21-19(22(27)29)12-24-26(21)2/h4-12,14H,3,13H2,1-2H3,(H,25,28)