methyl N-[5-(3-iodanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate

Systemtic Name: methyl N-[5-(3-iodanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Openeye Name: methyl N-[5-(3-iodophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate CAS Name: N-[5-(3-iodophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(3-iodophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Traditional Name: N-[5-(3-iodophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester Formula: C12H14IN3O2 MolecularWeight: 359.16293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NCC(CN1)C2=CC(=CC=C2)I

Isomeric SMILES

COC(=O)NC1=NCC(CN1)C2=CC(=CC=C2)I

InChI

InChI=1S/C12H14IN3O2/c1-18-12(17)16-11-14-6-9(7-15-11)8-3-2-4-10(13)5-8/h2-5,9H,6-7H2,1H3,(H2,14,15,16,17)