2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-8-thiophen-2-yl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-8-thiophen-2-yl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-8-(2-thienyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-8-thiophen-2-yl-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-8-thiophen-2-ylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(3-methylbut-2-enylamino)-8-(2-thienyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)C4=CC=CS4)C

Isomeric SMILES

CC(=CCNC1=NC=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)C4=CC=CS4)C

InChI

InChI=1S/C19H23N5O4S/c1-10(2)5-6-20-16-13-18(22-9-21-16)24(17(23-13)12-4-3-7-29-12)19-15(27)14(26)11(8-25)28-19/h3-5,7,9,11,14-15,19,25-27H,6,8H2,1-2H3,(H,20,21,22)