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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-11(2)6-15(24)17(25)22-13-5-3-4-12(7-13)9-26-18-14-8-21-23-16(14)19-10-20-18/h3-5,7-8,10-11,15,24H,6,9H2,1-2H3,(H,22,25)(H,19,20,21,23)