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

Systemtic Name: N-butyl-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Openeye Name: N-butyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide CAS Name: N-butyl-3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]propanamide IUPAC Name: N-butyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Traditional Name: N-butyl-3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propionamide Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O3/c1-2-3-10-21-17(28)9-11-22-20(30)23-13-16-25-18-15(19(29)26-16)12-24-27(18)14-7-5-4-6-8-14/h4-8,12,24H,2-3,9-11,13H2,1H3,(H,21,28)(H2,22,23,30)