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

Systemtic Name: 2-[(3-azanyl-2-methyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-amino-2-methyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-amino-2-methylphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-amino-2-methylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-amino-2-methyl-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H15N3OS MolecularWeight: 261.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS/c1-8-6-12(17)16-13(15-8)18-7-10-4-3-5-11(14)9(10)2/h3-6H,7,14H2,1-2H3,(H,15,16,17)