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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[(4-chlorophenyl)methyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(4-chlorobenzyl)acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c21-16-8-6-14(7-9-16)12-22-18(25)10-17-11-19(26)24-20(23-17)27-13-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,22,25)(H,23,24,26)