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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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