2-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C21H25N7O2S/c1-14-4-3-5-15(2)19(14)25-17(29)12-27-6-8-28(9-7-27)18(30)13-31-21-24-11-16(10-22)20(23)26-21/h3-5,11H,6-9,12-13H2,1-2H3,(H,25,29)(H2,23,24,26)