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

Systemtic Name: 5-bromanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]thiophene-2-carboxamide Formula: C17H12BrN5OS2 MolecularWeight: 446.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)Br)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)Br)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H12BrN5OS2/c18-14-5-4-13(26-14)16(24)22-11-3-1-2-10(6-11)8-25-17-12-7-21-23-15(12)19-9-20-17/h1-7,9H,8H2,(H,22,24)(H,19,20,21,23)