2-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-iodophenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-iodophenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-iodophenyl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C15H15IN2O2S MolecularWeight: 414.26127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H15IN2O2S/c1-2-3-12-8-14(20)18-15(17-12)21-9-13(19)10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H,17,18,20)