N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H14N6O2S/c1-10-5-14(23-25-10)21-16(24)12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h2-7,9H,8H2,1H3,(H,21,23,24)(H,18,19,20,22)