3-[2-(4-azido-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-azido-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-azido-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-azido-3-iodanylphenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-azido-3-iodanylphenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-azido-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-quinone Formula: C21H24IN7O2 MolecularWeight: 531.365584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N=[N+]=[N-])I

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N=[N+]=[N-])[125I]

InChI

InChI=1S/C21H24IN7O2/c1-2-10-29-20(30)17-19(25-18(24-17)14-5-3-4-6-14)28(21(29)31)11-9-13-7-8-16(26-27-23)15(22)12-13/h7-8,12,14H,2-6,9-11H2,1H3,(H,24,25)/i22-2