4-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazin-3-one Openeye Name: 4-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-benzothiazin-3-one CAS Name: 4-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazin-3-one IUPAC Name: 4-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-benzothiazin-3-one Traditional Name: 4-[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazin-3-one Formula: C20H15N5OS2 MolecularWeight: 405.496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)C3=NC(=NC4=C3C=NN4)SCC5=CC=CC=C5

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)C3=NC(=NC4=C3C=NN4)SCC5=CC=CC=C5

InChI

InChI=1S/C20H15N5OS2/c26-17-12-27-16-9-5-4-8-15(16)25(17)19-14-10-21-24-18(14)22-20(23-19)28-11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,21,22,23,24)