8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-iodophenyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H11IN4O2 MolecularWeight: 382.15651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)I

InChI

InChI=1S/C13H11IN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)