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

Systemtic Name: 3-methyl-2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-hydroxy-3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide CAS Name: 2-hydroxy-3-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butanamide IUPAC Name: 2-hydroxy-3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-hydroxy-3-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butyramide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-10(2)14(23)16(24)21-12-5-3-4-11(6-12)8-25-17-13-7-20-22-15(13)18-9-19-17/h3-7,9-10,14,23H,8H2,1-2H3,(H,21,24)(H,18,19,20,22)