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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NCCC(N1)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)NC1=NCCC(N1)C2=CC=C(C=C2)I

InChI

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