3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C22H21N5O4S/c1-29-17-8-15(9-18(30-2)19(17)31-3)26-21(28)14-6-4-5-13(7-14)11-32-22-16-10-25-27-20(16)23-12-24-22/h4-10,12H,11H2,1-3H3,(H,26,28)(H,23,24,25,27)