[2-oxidanylidene-2-(propylamino)ethyl] 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionic acid [2-keto-2-(propylamino)ethyl] ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)CCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)COC(=O)CCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O4/c1-2-10-20-16(25)12-28-17(26)9-8-15-22-18-14(19(27)23-15)11-21-24(18)13-6-4-3-5-7-13/h3-7,11,21H,2,8-10,12H2,1H3,(H,20,25)