6-chloranyl-2-iodanyl-9-methyl-8-(3-methylphenyl)purine

Systemtic Name: 6-chloranyl-2-iodanyl-9-methyl-8-(3-methylphenyl)purine Openeye Name: 6-chloro-2-iodo-9-methyl-8-(m-tolyl)purine CAS Name: 6-chloro-2-iodo-9-methyl-8-(3-methylphenyl)purine IUPAC Name: 6-chloro-2-iodo-9-methyl-8-(3-methylphenyl)purine Traditional Name: 6-chloro-2-iodo-9-methyl-8-(m-tolyl)purine Formula: C13H10ClIN4 MolecularWeight: 384.60277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3Cl)I

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3Cl)I

InChI

InChI=1S/C13H10ClIN4/c1-7-4-3-5-8(6-7)11-16-9-10(14)17-13(15)18-12(9)19(11)2/h3-6H,1-2H3