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

Systemtic Name: 3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Openeye Name: 3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide CAS Name: 3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butanamide IUPAC Name: 3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Traditional Name: 3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butyramide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-15(17-7-3-2-4-8-17)10-20(28)26-18-9-5-6-16(11-18)13-29-22-19-12-25-27-21(19)23-14-24-22/h2-9,11-12,14-15H,10,13H2,1H3,(H,26,28)(H,23,24,25,27)