3-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazol-2-one Openeye Name: 3-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,3-benzothiazol-2-one CAS Name: 3-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazol-2-one IUPAC Name: 3-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,3-benzothiazol-2-one Traditional Name: 3-[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazol-2-one Formula: C19H13N5OS2 MolecularWeight: 391.46942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C19H13N5OS2/c25-19-24(14-8-4-5-9-15(14)27-19)17-13-10-20-23-16(13)21-18(22-17)26-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21,22,23)