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

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3H-benzimidazole-5-carboxamide Formula: C20H15N7OS MolecularWeight: 401.4444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C20H15N7OS/c28-19(13-4-5-16-17(7-13)22-10-21-16)26-14-3-1-2-12(6-14)9-29-20-15-8-25-27-18(15)23-11-24-20/h1-8,10-11H,9H2,(H,21,22)(H,26,28)(H,23,24,25,27)