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

Systemtic Name: N-(3-phenylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3-phenylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3-phenylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3-phenylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3-phenylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C25H19N5OS MolecularWeight: 437.51626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C25H19N5OS/c31-24(29-21-11-5-9-19(13-21)18-7-2-1-3-8-18)20-10-4-6-17(12-20)15-32-25-22-14-28-30-23(22)26-16-27-25/h1-14,16H,15H2,(H,29,31)(H,26,27,28,30)