[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H21N7OS/c1-15-12-17(18-13-24-28(19(18)25-15)14-16-4-2-11-30-16)20(29)26-7-9-27(10-8-26)21-22-5-3-6-23-21/h2-6,11-13H,7-10,14H2,1H3