5-iodanyl-6-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-iodanyl-6-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-benzylsulfanyl-5-iodo-1H-pyrimidin-4-one CAS Name: 5-iodo-6-(phenylmethyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-benzylsulfanyl-5-iodo-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-(benzylthio)-5-iodo-1H-pyrimidin-4-one Formula: C18H15IN2OS MolecularWeight: 434.29397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)I

InChI

InChI=1S/C18H15IN2OS/c19-16-15(11-13-7-3-1-4-8-13)20-18(21-17(16)22)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21,22)