2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(1-phenylethyl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-(1-phenylethyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(1-phenylethyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(1-phenylethyl)acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

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