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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-chloro-4-methyl-phenyl)acetamide Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)Cl

InChI

InChI=1S/C13H13ClN4O2S/c1-7-2-3-9(8(14)4-7)16-12(20)6-21-13-17-10(15)5-11(19)18-13/h2-5H,6H2,1H3,(H,16,20)(H3,15,17,18,19)