3,3-dimethyl-2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 3,3-dimethyl-2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-hydroxy-3,3-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide CAS Name: 2-hydroxy-3,3-dimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butanamide IUPAC Name: 2-hydroxy-3,3-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-hydroxy-3,3-dimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butyramide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)O

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)O

InChI

InChI=1S/C18H21N5O2S/c1-18(2,3)14(24)16(25)22-12-6-4-5-11(7-12)9-26-17-13-8-21-23-15(13)19-10-20-17/h4-8,10,14,24H,9H2,1-3H3,(H,22,25)(H,19,20,21,23)