5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide

Systemtic Name: 5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide Openeye Name: 5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: 5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-4-hydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: 5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide Traditional Name: 5-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H18ClIN6O3 MolecularWeight: 528.73139

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O

Isomeric SMILES

CNC(=O)C1CC(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O

InChI

InChI=1S/C18H18ClIN6O3/c1-21-16(28)12-6-11(27)17(29-12)26-8-23-13-14(24-18(19)25-15(13)26)22-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17,27H,6-7H2,1H3,(H,21,28)(H,22,24,25)