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

Systemtic Name: 2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-(propan-2-ylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(isopropylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[(3-iodophenyl)methylamino]-9-purinyl]-5-[(propan-2-ylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(propan-2-ylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-[(3-iodobenzyl)amino]purin-9-yl]-5-[(isopropylthio)methyl]tetrahydrofuran-3,4-diol Formula: C20H24IN5O3S MolecularWeight: 541.40573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

Isomeric SMILES

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

InChI

InChI=1S/C20H24IN5O3S/c1-11(2)30-8-14-16(27)17(28)20(29-14)26-10-25-15-18(23-9-24-19(15)26)22-7-12-4-3-5-13(21)6-12/h3-6,9-11,14,16-17,20,27-28H,7-8H2,1-2H3,(H,22,23,24)