(2S,5R)-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-oxolane-2-carboxamide

Systemtic Name: (2S,5R)-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-oxolane-2-carboxamide Openeye Name: (2S,5R)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,5R)-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,5R)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide Traditional Name: (2S,5R)-5-[6-[(3-iodobenzyl)amino]purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H19IN6O2 MolecularWeight: 478.28693

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCC(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I

Isomeric SMILES

CNC(=O)[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I

InChI

InChI=1S/C18H19IN6O2/c1-20-18(26)13-5-6-14(27-13)25-10-24-15-16(22-9-23-17(15)25)21-8-11-3-2-4-12(19)7-11/h2-4,7,9-10,13-14H,5-6,8H2,1H3,(H,20,26)(H,21,22,23)/t13-,14+/m0/s1