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

Systemtic Name: 2-(ethylsulfanylmethyl)-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(ethylsulfanylmethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[(ethylthio)methyl]-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(ethylsulfanylmethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[(ethylthio)methyl]-5-[6-[(3-iodobenzyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H22IN5O3S MolecularWeight: 527.37915

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

Isomeric SMILES

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

InChI

InChI=1S/C19H22IN5O3S/c1-2-29-8-13-15(26)16(27)19(28-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-4-3-5-12(20)6-11/h3-6,9-10,13,15-16,19,26-27H,2,7-8H2,1H3,(H,21,22,23)