2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=CC=C2C)C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=CC=C2C)C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-4-17-19(15-8-10-16(23)11-9-15)21(24)27-22(25-17)29-12-18(28)26-20-13(2)6-5-7-14(20)3/h5-11H,4,12H2,1-3H3,(H,26,28)(H2,24,25,27)