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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(4-dimethylaminophenyl)acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2S/c1-26(2)18-8-6-16(7-9-18)23-19(27)11-17-12-20(28)25-21(24-17)29-13-14-4-3-5-15(22)10-14/h3-10,12H,11,13H2,1-2H3,(H,23,27)(H,24,25,28)