N-[2-[[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[(4-chlorophenyl)thio]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[(4-chlorophenyl)thio]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-14(26)22-11-12-23-18-13-19(27-17-9-7-16(21)8-10-17)25-20(24-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,24,25)