5-[2,6-bis(azanyl)purin-9-yl]-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 5-[2,6-bis(azanyl)purin-9-yl]-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 5-(2,6-diamino-9-purinyl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-2-methylol-tetrahydrofuran-3,4-diol Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=C2N=C(N=C3N)N)O)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=C2N=C(N=C3N)N)O)O)CO

InChI

InChI=1S/C12H14N6O4/c1-2-12(3-19)7(21)6(20)10(22-12)18-4-15-5-8(13)16-11(14)17-9(5)18/h1,4,6-7,10,19-21H,3H2,(H4,13,14,16,17)