N-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N6O2S/c28-18(25-21-24-16-8-4-5-9-17(16)30-21)10-11-26-13-22-19-15(20(26)29)12-23-27(19)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,24,25,28)