N-(4-butylphenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-butylphenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-butylphenyl)acetamide Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5OS/c1-2-3-7-18-10-12-20(13-11-18)28-22(30)16-31-24-21-14-27-29(23(21)25-17-26-24)15-19-8-5-4-6-9-19/h4-6,8-14,17H,2-3,7,15-16H2,1H3,(H,28,30)