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

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate Openeye Name: ethyl 4-oxo-4-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate CAS Name: 4-oxo-4-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate Traditional Name: 4-keto-4-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butyric acid ethyl ester Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCC(=O)OCC

InChI

InChI=1S/C25H32N6O3/c1-3-9-21-27-24(20-18-26-31(25(20)28-21)19-10-6-5-7-11-19)30-15-8-14-29(16-17-30)22(32)12-13-23(33)34-4-2/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3