2-(2-butoxy-5-iodanyl-pyridin-3-yl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one

Systemtic Name: 2-(2-butoxy-5-iodanyl-pyridin-3-yl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one Openeye Name: 8-benzyl-2-(2-butoxy-5-iodo-3-pyridyl)-9-propyl-3H-purin-6-one CAS Name: 2-(2-butoxy-5-iodo-3-pyridinyl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one IUPAC Name: 8-benzyl-2-(2-butoxy-5-iodopyridin-3-yl)-9-propyl-3H-purin-6-one Traditional Name: 8-benzyl-2-(2-butoxy-5-iodo-3-pyridyl)-9-propyl-3H-purin-6-one Formula: C24H26IN5O2 MolecularWeight: 543.40001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)I

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)I

InChI

InChI=1S/C24H26IN5O2/c1-3-5-12-32-24-18(14-17(25)15-26-24)21-28-22-20(23(31)29-21)27-19(30(22)11-4-2)13-16-9-7-6-8-10-16/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,28,29,31)