2-[(2-chloranyl-6-iodanyl-phenyl)methylamino]-5-(3-ethyl-1,2-oxazol-5-yl)-2-purin-9-yl-oxolane-3,4-diol

Systemtic Name: 2-[(2-chloranyl-6-iodanyl-phenyl)methylamino]-5-(3-ethyl-1,2-oxazol-5-yl)-2-purin-9-yl-oxolane-3,4-diol Openeye Name: 2-[(2-chloro-6-iodo-phenyl)methylamino]-5-(3-ethylisoxazol-5-yl)-2-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 2-[(2-chloro-6-iodophenyl)methylamino]-5-(3-ethyl-5-isoxazolyl)-2-(9-purinyl)oxolane-3,4-diol IUPAC Name: 2-[(2-chloro-6-iodophenyl)methylamino]-5-(3-ethyl-1,2-oxazol-5-yl)-2-purin-9-yloxolane-3,4-diol Traditional Name: 2-[(2-chloro-6-iodo-benzyl)amino]-5-(3-ethylisoxazol-5-yl)-2-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C21H20ClIN6O4 MolecularWeight: 582.77877

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C2C(C(C(O2)(NCC3=C(C=CC=C3I)Cl)N4C=NC5=CN=CN=C54)O)O

Isomeric SMILES

CCC1=NOC(=C1)C2C(C(C(O2)(NCC3=C(C=CC=C3I)Cl)N4C=NC5=CN=CN=C54)O)O

InChI

InChI=1S/C21H20ClIN6O4/c1-2-11-6-16(33-28-11)18-17(30)19(31)21(32-18,27-7-12-13(22)4-3-5-14(12)23)29-10-26-15-8-24-9-25-20(15)29/h3-6,8-10,17-19,27,30-31H,2,7H2,1H3