1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=O)N=C3C2=C(NN3C4=NC5=CC=CC=C5S4)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=O)N=C3C2=C(NN3C4=NC5=CC=CC=C5S4)C)O

InChI

InChI=1S/C22H20N4O3S/c1-3-29-17-10-13(8-9-16(17)27)14-11-19(28)24-21-20(14)12(2)25-26(21)22-23-15-6-4-5-7-18(15)30-22/h4-10,14,25,27H,3,11H2,1-2H3