2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[(3-iodophenyl)methylamino]-9-purinyl]-5-[(methylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-[(3-iodobenzyl)amino]purin-9-yl]-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol Formula: C18H20IN5O3S MolecularWeight: 513.35257

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

Isomeric SMILES

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

InChI

InChI=1S/C18H20IN5O3S/c1-28-7-12-14(25)15(26)18(27-12)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)