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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO)O

Isomeric SMILES

C#CC1(C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO)O

InChI

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