8-iodanyl-1,3-dimethyl-9-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-iodanyl-1,3-dimethyl-9-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-iodo-1,3-dimethyl-9-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-iodo-1,3-dimethyl-9-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-iodo-1,3-dimethyl-9-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-iodo-1,3-dimethyl-9-(3-methylbenzyl)xanthine Formula: C15H15IN4O2 MolecularWeight: 410.20967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2I

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2I

InChI

InChI=1S/C15H15IN4O2/c1-9-5-4-6-10(7-9)8-20-12-11(17-14(20)16)13(21)19(3)15(22)18(12)2/h4-7H,8H2,1-3H3