3-(4-methylphenyl)-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-phenyl-3-(p-tolyl)-5-[(2-thienylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-(4-methylphenyl)-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-(4-methylphenyl)-1-phenyl-5-[(thiophen-2-ylmethylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-phenyl-3-(p-tolyl)-5-[(2-thenylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNCC5=CC=CS5

InChI

InChI=1S/C25H22N4OS/c1-17-9-11-18(12-10-17)23-22-14-19(15-26-16-21-8-5-13-31-21)25(30)27-24(22)29(28-23)20-6-3-2-4-7-20/h2-14,26,28H,15-16H2,1H3