2-[6-azanyl-2-[(E)-but-1-en-3-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(E)-but-1-en-3-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[(E)-but-1-en-3-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(E)-but-1-en-3-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[(E)-but-1-en-3-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[(E)-but-1-en-3-ynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

C#CC=CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C#C/C=C/C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C14H15N5O4/c1-2-3-4-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(5-20)23-14/h1,3-4,6-7,10-11,14,20-22H,5H2,(H2,15,17,18)/b4-3+