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

Systemtic Name: N-methyl-3-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-methyl-3-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-methyl-3-[[1-oxo-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]amino]benzamide IUPAC Name: N-methyl-3-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 3-[[2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O3S/c1-22-19(29)13-6-5-7-14(10-13)24-17(28)12-31-21-25-18-16(20(30)26-21)11-23-27(18)15-8-3-2-4-9-15/h2-11,23H,12H2,1H3,(H,22,29)(H,24,28)