5-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13N5OS MolecularWeight: 359.40442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H13N5OS/c25-19-14-10-21-24(13-6-2-1-3-7-13)18(14)20-12-23(19)11-17-22-15-8-4-5-9-16(15)26-17/h1-10,12H,11H2