2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(5-cyclopentyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-cyclopentyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7OS/c22-11-15-12-24-21(26-20(15)23)30-13-19(29)25-18-10-17(14-6-4-5-7-14)27-28(18)16-8-2-1-3-9-16/h1-3,8-10,12,14H,4-7,13H2,(H,25,29)(H2,23,24,26)