ethyl 4-oxidanylidene-4-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butanoate Openeye Name: ethyl 4-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butanoate Traditional Name: 4-keto-4-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]butyric acid ethyl ester Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CCC(=O)OCC

InChI

InChI=1S/C26H34N6O3/c1-4-9-19(3)24-28-25(21-18-27-32(26(21)29-24)20-10-7-6-8-11-20)31-16-14-30(15-17-31)22(33)12-13-23(34)35-5-2/h6-8,10-11,18-19H,4-5,9,12-17H2,1-3H3