ethyl 4-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O4/c1-2-30-20(29)24-10-8-23(9-11-24)17(27)13-25-14-21-18-16(19(25)28)12-22-26(18)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3