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

Systemtic Name: 2-[(3-azanyl-4-chloranyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-amino-4-chloro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-amino-4-chlorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-amino-4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-amino-4-chloro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C12H12ClN3OS/c1-7-4-11(17)16-12(15-7)18-6-8-2-3-9(13)10(14)5-8/h2-5H,6,14H2,1H3,(H,15,16,17)