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

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]thiophene-2-carboxamide Formula: C17H13N5OS2 MolecularWeight: 367.44802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H13N5OS2/c23-16(14-5-2-6-24-14)21-12-4-1-3-11(7-12)9-25-17-13-8-20-22-15(13)18-10-19-17/h1-8,10H,9H2,(H,21,23)(H,18,19,20,22)