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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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