N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-(4-pyridyl)thiazole-4-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-pyridin-4-yl-4-thiazolecarboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-(4-pyridyl)thiazole-4-carboxamide Formula: C21H15N7OS2 MolecularWeight: 445.5201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H15N7OS2/c29-19(17-11-31-20(27-17)14-4-6-22-7-5-14)26-15-3-1-2-13(8-15)10-30-21-16-9-25-28-18(16)23-12-24-21/h1-9,11-12H,10H2,(H,26,29)(H,23,24,25,28)