2-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-methyl-oxolan-3-ol

Systemtic Name: 2-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-methyl-oxolan-3-ol Openeye Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-methyl-tetrahydrofuran-3-ol CAS Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-5-methyl-3-oxolanol IUPAC Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-methyloxolan-3-ol Traditional Name: 2-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-5-methyl-tetrahydrofuran-3-ol Formula: C17H17ClIN5O2 MolecularWeight: 485.70665

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O

Isomeric SMILES

CC1CC(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O

InChI

InChI=1S/C17H17ClIN5O2/c1-9-5-12(25)16(26-9)24-8-21-13-14(22-17(18)23-15(13)24)20-7-10-3-2-4-11(19)6-10/h2-4,6,8-9,12,16,25H,5,7H2,1H3,(H,20,22,23)