2-(hydroxymethyl)-5-[6-[2-(5-methyl-1-benzothiophen-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[2-(5-methyl-1-benzothiophen-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[2-(5-methylbenzothiophen-3-yl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[2-(5-methyl-1-benzothiophen-3-yl)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[2-(5-methyl-1-benzothiophen-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[2-(5-methylbenzothiophen-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C2CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H23N5O4S/c1-11-2-3-15-13(6-11)12(8-31-15)4-5-22-19-16-20(24-9-23-19)26(10-25-16)21-18(29)17(28)14(7-27)30-21/h2-3,6,8-10,14,17-18,21,27-29H,4-5,7H2,1H3,(H,22,23,24)