(6-cyclopropyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (6-cyclopropyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (6-cyclopropyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: (6-cyclopropyl-1-propyl-4-pyrazolo[3,4-b]pyridinyl)-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (6-cyclopropyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (6-cyclopropyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCN1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H25N5O3S2/c1-2-7-26-20-17(14-22-26)16(13-18(23-20)15-5-6-15)21(27)24-8-10-25(11-9-24)31(28,29)19-4-3-12-30-19/h3-4,12-15H,2,5-11H2,1H3