5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(2-chlorobenzyl)sulfinylethyl]-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CN=CC=C2)CCS(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CN=CC=C2)CCS(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-15-24-20(9-8-16-5-4-11-23-13-16)18(21(26)25-15)10-12-28(27)14-17-6-2-3-7-19(17)22/h2-9,11,13H,10,12,14H2,1H3,(H,24,25,26)/b9-8+