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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

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