6-methyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C11H11N3O2S/c1-7-5-10(16)14-11(13-7)17-6-9(15)8-3-2-4-12-8/h2-5,12H,6H2,1H3,(H,13,14,16)