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

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate Openeye Name: ethyl 4-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate Traditional Name: 4-keto-4-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]butyric acid ethyl ester Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCC(=O)OCC

InChI

InChI=1S/C27H36N6O3/c1-4-10-20(3)25-29-26(22-19-28-33(27(22)30-25)21-11-7-6-8-12-21)32-16-9-15-31(17-18-32)23(34)13-14-24(35)36-5-2/h6-8,11-12,19-20H,4-5,9-10,13-18H2,1-3H3