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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-3-14(4-2)23-18(27)13-30-19(28)11-10-17-24-20-16(21(29)25-17)12-22-26(20)15-8-6-5-7-9-15/h5-9,12,14,22H,3-4,10-11,13H2,1-2H3,(H,23,27)