N-(2,5-dimethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,5-dimethoxyphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,5-dimethoxyphenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-15-23-18(16-7-5-4-6-8-16)14-22(24-15)29-12-11-21(26)25-19-13-17(27-2)9-10-20(19)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,25,26)