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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-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-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O2S/c1-13-24-17-8-7-14(11-18(17)31-13)25-20(29)10-9-19-26-21-16(22(30)27-19)12-23-28(21)15-5-3-2-4-6-15/h2-8,11-12,23H,9-10H2,1H3,(H,25,29)