N-(3-azanyl-4-chloranyl-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-amino-4-chlorophenyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-2-(2-pyrimidylthio)propionamide Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4OS/c1-8(20-13-16-5-2-6-17-13)12(19)18-9-3-4-10(14)11(15)7-9/h2-8H,15H2,1H3,(H,18,19)