3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]propanamide

Systemtic Name: 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]propanamide Openeye Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]propanamide CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]propanamide IUPAC Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]propanamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CCC3=C(NC(=NC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CCC3=C(NC(=NC3=O)C)C

InChI

InChI=1S/C23H25N3O2S/c1-14-5-6-15(2)21(13-14)29-19-9-7-18(8-10-19)26-22(27)12-11-20-16(3)24-17(4)25-23(20)28/h5-10,13H,11-12H2,1-4H3,(H,26,27)(H,24,25,28)