2-[6-azanyl-2-[methyl(2-thiophen-2-ylethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[methyl(2-thiophen-2-ylethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[methyl-[2-(2-thienyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[methyl(2-thiophen-2-ylethyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[methyl(2-thiophen-2-ylethyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[methyl-[2-(2-thienyl)ethyl]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CS1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CN(CCC1=CC=CS1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H22N6O4S/c1-22(5-4-9-3-2-6-28-9)17-20-14(18)11-15(21-17)23(8-19-11)16-13(26)12(25)10(7-24)27-16/h2-3,6,8,10,12-13,16,24-26H,4-5,7H2,1H3,(H2,18,20,21)