N-[2,5-bis(chloranyl)phenyl]-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(2,5-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(2,5-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(2,5-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(2,5-dichlorophenyl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C13H11Cl2N3O3S MolecularWeight: 360.21574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CCSC2=NC(=CC(=O)N2)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CCSC2=NC(=CC(=O)N2)O)Cl

InChI

InChI=1S/C13H11Cl2N3O3S/c14-7-1-2-8(15)9(5-7)16-10(19)3-4-22-13-17-11(20)6-12(21)18-13/h1-2,5-6H,3-4H2,(H,16,19)(H2,17,18,20,21)