1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-6-cyclopropyl-3-methyl-N-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-6-cyclopropyl-3-methyl-N-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-butyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-butyl-6-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-N-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-butyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-butyl-6-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-N-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC(=NC3=C2C(=NN3C4CCS(=O)(=O)C4)C)C5CC5

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC(=NC3=C2C(=NN3[C@H]4CCS(=O)(=O)C4)C)C5CC5

InChI

InChI=1S/C25H30N4O3S/c1-3-4-13-28(19-8-6-5-7-9-19)25(30)21-15-22(18-10-11-18)26-24-23(21)17(2)27-29(24)20-12-14-33(31,32)16-20/h5-9,15,18,20H,3-4,10-14,16H2,1-2H3/t20-/m0/s1