2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=C(N(N=C4C)C)C

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=C(N(N=C4C)C)C

InChI

InChI=1S/C21H23N7OS/c1-5-17-23-20-16(11-22-28(20)15-9-7-6-8-10-15)21(24-17)30-12-18(29)25-19-13(2)26-27(4)14(19)3/h6-11H,5,12H2,1-4H3,(H,25,29)