2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-15-8-9-16(2)18(10-15)14-28-22-24-19(12-21(27)25-22)11-20(26)23-13-17-6-4-3-5-7-17/h3-10,12H,11,13-14H2,1-2H3,(H,23,26)(H,24,25,27)