6-azanyl-2-[[2,3,6-tris(chloranyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[2,3,6-tris(chloranyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2,3,6-trichlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2,3,6-trichlorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2,3,6-trichlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2,3,6-trichlorobenzyl)thio]-1H-pyrimidin-4-one Formula: C11H8Cl3N3OS MolecularWeight: 336.62472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1Cl)CSC2=NC(=O)C=C(N2)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C(=C1Cl)CSC2=NC(=O)C=C(N2)N)Cl)Cl

InChI

InChI=1S/C11H8Cl3N3OS/c12-6-1-2-7(13)10(14)5(6)4-19-11-16-8(15)3-9(18)17-11/h1-3H,4H2,(H3,15,16,17,18)