2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-6-yl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-15-6-5-9-17(10-15)14-27-21-23-18(12-20(26)24-21)11-19(25)22-13-16-7-3-2-4-8-16/h2-10,12H,11,13-14H2,1H3,(H,22,25)(H,23,24,26)