5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine iodide

Systemtic Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine iodide Openeye Name: 5-(4-chlorophenyl)-1-ethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine iodide CAS Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-4-pyrrolo[2,3-d]pyrimidin-1-iumamine iodide IUPAC Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine iodide Traditional Name: [5-(4-chlorophenyl)-1-ethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-yl]amine iodide Formula: C21H20ClIN4 MolecularWeight: 490.76777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl.[I-]

Isomeric SMILES

CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl.[I-]

InChI

InChI=1S/C21H19ClN4.HI/c1-3-25-13-24-20(23)19-18(15-6-8-16(22)9-7-15)12-26(21(19)25)17-10-4-14(2)5-11-17;/h4-13,23H,3H2,1-2H3;1H