N-hexyl-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide

Systemtic Name: N-hexyl-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Openeye Name: N-hexyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide CAS Name: N-hexyl-3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]propanamide IUPAC Name: N-hexyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Traditional Name: N-hexyl-3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propionamide Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C22H29N7O3/c1-2-3-4-8-12-23-19(30)11-13-24-22(32)25-15-18-27-20-17(21(31)28-18)14-26-29(20)16-9-6-5-7-10-16/h5-7,9-10,14,26H,2-4,8,11-13,15H2,1H3,(H,23,30)(H2,24,25,32)