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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)CCC(=O)OCC

InChI

InChI=1S/C26H34N6O3/c1-4-6-12-21-27-25(24-19(3)29-32(26(24)28-21)20-10-8-7-9-11-20)31-17-15-30(16-18-31)22(33)13-14-23(34)35-5-2/h7-11H,4-6,12-18H2,1-3H3