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

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-methyl-ethanamide Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-methyl-acetamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-methylacetamide IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-methylacetamide Traditional Name: 2-[2-[(2-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-methyl-acetamide Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C#N

Isomeric SMILES

CNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C15H14N4O2S/c1-17-13(20)6-12-7-14(21)19-15(18-12)22-9-11-5-3-2-4-10(11)8-16/h2-5,7H,6,9H2,1H3,(H,17,20)(H,18,19,21)