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

Systemtic Name: 5-[6-[(2-chloranyl-3-iodanyl-phenyl)methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-[(2-chloro-3-iodo-phenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-[(2-chloro-3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: 5-[6-[(2-chloro-3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: 5-[6-[(2-chloro-3-iodo-benzyl)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)N2C=NC3=C2N=CN=C3NCC4=C(C(=CC=C4)I)Cl)O)O

Isomeric SMILES

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=C(C(=CC=C4)I)Cl)O)O

InChI

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