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

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-imidazole-5-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-imidazole-5-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-imidazole-5-carboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-imidazole-5-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-imidazole-5-carboxamide Formula: C16H13N7OS MolecularWeight: 351.38572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CN=CN2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CN=CN2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C16H13N7OS/c24-15(13-6-17-8-18-13)22-11-3-1-2-10(4-11)7-25-16-12-5-21-23-14(12)19-9-20-16/h1-6,8-9H,7H2,(H,17,18)(H,22,24)(H,19,20,21,23)