N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O3S/c1-31-15-8-5-9-16-19(15)27-22(32-16)26-18(29)11-10-17-24-20-14(21(30)25-17)12-23-28(20)13-6-3-2-4-7-13/h2-9,12,23H,10-11H2,1H3,(H,26,27,29)