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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

Isomeric SMILES

CCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

InChI

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