N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanamide

Systemtic Name: N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)ethanamide Openeye Name: N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)acetamide CAS Name: N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)acetamide IUPAC Name: N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)acetamide Traditional Name: N-(3-phenoxyphenyl)-2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)acetamide Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H15N5O2S/c25-17(11-27-19-16-10-22-24-18(16)20-12-21-19)23-13-5-4-8-15(9-13)26-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,23,25)(H,20,21,22,24)