2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC(=O)C=C(N2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC(=O)C=C(N2)N)C#N

InChI

InChI=1S/C13H10ClN5O2S/c14-8-2-1-7(5-15)9(3-8)17-12(21)6-22-13-18-10(16)4-11(20)19-13/h1-4H,6H2,(H,17,21)(H3,16,18,19,20)