6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-5-phenyl-1H-pyrimidin-4-one Formula: C17H13ClFN3OS MolecularWeight: 361.821023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C17H13ClFN3OS/c18-12-7-4-8-13(19)11(12)9-24-17-21-15(20)14(16(23)22-17)10-5-2-1-3-6-10/h1-8H,9H2,(H3,20,21,22,23)