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

Systemtic Name: N-(2-methylpropyl)-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Openeye Name: N-isobutyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide CAS Name: N-(2-methylpropyl)-3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]propanamide IUPAC Name: N-(2-methylpropyl)-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Traditional Name: N-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O3/c1-13(2)10-22-17(28)8-9-21-20(30)23-12-16-25-18-15(19(29)26-16)11-24-27(18)14-6-4-3-5-7-14/h3-7,11,13,24H,8-10,12H2,1-2H3,(H,22,28)(H2,21,23,30)