2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2,5-bis(chloranyl)phenyl]propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2,5-bis(chloranyl)phenyl]propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,5-dichlorophenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,5-dichlorophenyl)propionamide Formula: C13H12Cl2N4O2S MolecularWeight: 359.23098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H12Cl2N4O2S/c1-6(22-13-18-10(16)5-11(20)19-13)12(21)17-9-4-7(14)2-3-8(9)15/h2-6H,1H3,(H,17,21)(H3,16,18,19,20)