(6-azanyl-5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-phenyl-methanone

Systemtic Name: (6-azanyl-5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-phenyl-methanone Openeye Name: (6-amino-5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-phenyl-methanone CAS Name: [6-amino-5-methyl-2-(methylthio)-4-pyrimidinyl]-phenylmethanone IUPAC Name: (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone Traditional Name: [6-amino-5-methyl-2-(methylthio)pyrimidin-4-yl]-phenyl-methanone Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)SC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(N=C(N=C1N)SC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16)