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

Systemtic Name: N-(3,4-dichlorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dichlorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dichlorophenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dichlorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dichlorophenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C19H13Cl2N5OS MolecularWeight: 430.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl2N5OS/c20-15-5-4-13(7-16(15)21)25-18(27)12-3-1-2-11(6-12)9-28-19-14-8-24-26-17(14)22-10-23-19/h1-8,10H,9H2,(H,25,27)(H,22,23,24,26)