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

Systemtic Name: 3-[2-(4-azanyl-3-iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-amino-3-iodo-phenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-amino-3-iodophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-amino-3-iodophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(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)CCC4=CC(=C(C=C4)N)I

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N)I

InChI

InChI=1S/C21H26IN5O2/c1-2-10-27-20(28)17-19(25-18(24-17)14-5-3-4-6-14)26(21(27)29)11-9-13-7-8-16(23)15(22)12-13/h7-8,12,14H,2-6,9-11,23H2,1H3,(H,24,25)