2-(hydroxymethyl)-5-[6-[(1-thiophen-2-ylcyclobutyl)methylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(1-thiophen-2-ylcyclobutyl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[[1-(2-thienyl)cyclobutyl]methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(1-thiophen-2-ylcyclobutyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(1-thiophen-2-ylcyclobutyl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[[1-(2-thienyl)cyclobutyl]methylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H23N5O4S MolecularWeight: 417.48202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CS5

Isomeric SMILES

C1CC(C1)(CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CS5

InChI

InChI=1S/C19H23N5O4S/c25-7-11-14(26)15(27)18(28-11)24-10-23-13-16(21-9-22-17(13)24)20-8-19(4-2-5-19)12-3-1-6-29-12/h1,3,6,9-11,14-15,18,25-27H,2,4-5,7-8H2,(H,20,21,22)