(3-tert-butyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-tert-butyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (3-tert-butyl-6-keto-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-(2-thenyl)ammonium Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C22H24N4OS/c1-22(2,3)19-18-12-15(13-23-14-17-10-7-11-28-17)21(27)24-20(18)26(25-19)16-8-5-4-6-9-16/h4-12,23,25H,13-14H2,1-3H3/p+1