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

Systemtic Name: 3-[1-(4-azanyl-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[1-(4-amino-3-iodo-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-[1-(4-amino-3-iodophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[1-(4-amino-3-iodophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[1-(4-amino-3-iodo-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-quinone Formula: C21H26IN5O2 MolecularWeight: 507.36791

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C(C)C4=CC(=C(C=C4)N)I

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C(C)C4=CC(=C(C=C4)N)I

InChI

InChI=1S/C21H26IN5O2/c1-3-10-26-20(28)17-19(25-18(24-17)13-6-4-5-7-13)27(21(26)29)12(2)14-8-9-16(23)15(22)11-14/h8-9,11-13H,3-7,10,23H2,1-2H3,(H,24,25)