N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]nicotinamide Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6OS/c25-17(13-4-2-6-19-8-13)23-14-5-1-3-12(7-14)10-26-18-15-9-22-24-16(15)20-11-21-18/h1-9,11H,10H2,(H,23,25)(H,20,21,22,24)