7-[(4-iodophenyl)methyl]-2-methylsulfanyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-[(4-iodophenyl)methyl]-2-methylsulfanyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[(4-iodophenyl)methyl]-2-methylsulfanyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-[(4-iodophenyl)methyl]-2-(methylthio)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 7-[(4-iodophenyl)methyl]-2-methylsulfanyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-(4-iodobenzyl)-2-(methylthio)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C14H12IN3OS MolecularWeight: 397.23405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)C(=CN2)CC3=CC=C(C=C3)I

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)C(=CN2)CC3=CC=C(C=C3)I

InChI

InChI=1S/C14H12IN3OS/c1-20-14-17-11-9(7-16-12(11)13(19)18-14)6-8-2-4-10(15)5-3-8/h2-5,7,16H,6H2,1H3,(H,17,18,19)