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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2-thenyl)propionamide Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2S2/c1-12(17(25)20-10-14-8-5-9-27-14)28-19-22-16-15(18(26)23-19)11-21-24(16)13-6-3-2-4-7-13/h2-9,11-12,21H,10H2,1H3,(H,20,25)