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

Systemtic Name: (1-butyl-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (1-butyl-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: (1-butyl-3,6-dimethyl-4-pyrazolo[3,4-b]pyridinyl)-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (1-butyl-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N5O3S2/c1-4-5-8-26-20-19(16(3)23-26)17(14-15(2)22-20)21(27)24-9-11-25(12-10-24)31(28,29)18-7-6-13-30-18/h6-7,13-14H,4-5,8-12H2,1-3H3