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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[(4-chlorophenyl)methyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(4-chlorobenzyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-16-6-4-13(5-7-16)9-22-19(27)15-3-1-2-14(8-15)11-28-20-17-10-25-26-18(17)23-12-24-20/h1-8,10,12H,9,11H2,(H,22,27)(H,23,24,25,26)