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

Systemtic Name: 3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]-N-pentyl-propanamide Openeye Name: 3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]-N-pentyl-propanamide CAS Name: 3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]-N-pentylpropanamide IUPAC Name: 3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]-N-pentylpropanamide Traditional Name: N-amyl-3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propionamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O3/c1-2-3-7-11-22-18(29)10-12-23-21(31)24-14-17-26-19-16(20(30)27-17)13-25-28(19)15-8-5-4-6-9-15/h4-6,8-9,13,25H,2-3,7,10-12,14H2,1H3,(H,22,29)(H2,23,24,31)