2-(6-aminopurin-9-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-3-ethynyl-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-3-ethynyl-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O)O

Isomeric SMILES

C#CC1(C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O)O

InChI

InChI=1S/C12H13N5O4/c1-2-12(20)8(19)6(3-18)21-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h1,4-6,8,11,18-20H,3H2,(H2,13,14,15)