(2S,3S,4R,5R)-5-[8-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[8-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[8-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[8-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[8-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[8-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H18ClIN6O4 MolecularWeight: 544.73079

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C3=C(C(=NC=N3)NCC4=CC(=CC=C4)I)N=C2Cl)O)O

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=NC=N3)NCC4=CC(=CC=C4)I)N=C2Cl)O)O

InChI

InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-15-10(25-18(26)19)14(23-7-24-15)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,23,24)/t11-,12+,13-,17+/m0/s1