N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-methyl-2-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H21N7OS/c1-17-12-21(28-22(32)15-33-14-18-8-4-2-5-9-18)31(29-17)24-20-13-27-30(23(20)25-16-26-24)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,28,32)