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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenethylpropanamide IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-phenethyl-propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15(20(28)23-13-12-16-8-4-2-5-9-16)30-22-25-19-18(21(29)26-22)14-24-27(19)17-10-6-3-7-11-17/h2-11,14-15,24H,12-13H2,1H3,(H,23,28)