2-[[1-(3-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[[1-(3-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[[1-(m-tolyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: 2-[[1-(3-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[1-(3-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[4-keto-1-(m-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC(=C3)C

InChI

InChI=1S/C19H23N5O2S/c1-4-13(5-2)21-16(25)11-27-19-22-17-15(18(26)23-19)10-20-24(17)14-8-6-7-12(3)9-14/h6-10,13,20H,4-5,11H2,1-3H3,(H,21,25)