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

Systemtic Name: 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzothiazol-2-ylmethylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1,3-benzothiazol-2-ylmethylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13N5OS2 MolecularWeight: 391.46942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=NC5=CC=CC=C5S4

InChI

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