5-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]furan-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]furan-2-carboxamide Openeye Name: 5-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]furan-2-carboxamide CAS Name: 5-tert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-furancarboxamide IUPAC Name: 5-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]furan-2-carboxamide Traditional Name: 5-tert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-furamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(O1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC(C)(C)C1=CC=C(O1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H21N5O2S/c1-21(2,3)17-8-7-16(28-17)19(27)25-14-6-4-5-13(9-14)11-29-20-15-10-24-26-18(15)22-12-23-20/h4-10,12H,11H2,1-3H3,(H,25,27)(H,22,23,24,26)