methyl 6-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate

Systemtic Name: methyl 6-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate Openeye Name: methyl 6-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate CAS Name: 6-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate Traditional Name: 6-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoic acid methyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C20H24N6O4/c1-30-17(27)10-6-3-7-11-21-20(29)22-13-16-24-18-15(19(28)25-16)12-23-26(18)14-8-4-2-5-9-14/h2,4-5,8-9,12,23H,3,6-7,10-11,13H2,1H3,(H2,21,22,29)