N-(3-azanyl-4-chloranyl-phenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-amino-4-chlorophenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-3-[(6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSC2=NC=CC(=O)N2)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSC2=NC=CC(=O)N2)N)Cl

InChI

InChI=1S/C13H13ClN4O2S/c14-9-2-1-8(7-10(9)15)17-12(20)4-6-21-13-16-5-3-11(19)18-13/h1-3,5,7H,4,6,15H2,(H,17,20)(H,16,18,19)