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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

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