2-oxidanylidene-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide

Systemtic Name: 2-oxidanylidene-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Openeye Name: 2-oxo-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide CAS Name: 2-oxo-3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propanamide IUPAC Name: 2-oxo-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Traditional Name: 2-keto-3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propionamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H17N5O2S/c27-18(10-14-5-2-1-3-6-14)20(28)25-16-8-4-7-15(9-16)12-29-21-17-11-24-26-19(17)22-13-23-21/h1-9,11,13H,10,12H2,(H,25,28)(H,22,23,24,26)