2-(6-azanyl-6-chloranyl-2-ethynyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-6-chloranyl-2-ethynyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-6-chloro-2-ethynyl-3H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-amino-6-chloro-2-ethynyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-6-chloro-2-ethynyl-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-(6-amino-6-chloro-2-ethynyl-3H-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC(C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O)(N)Cl

Isomeric SMILES

C#CC1=NC(C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O)(N)Cl

InChI

InChI=1S/C12H14ClN5O4/c1-2-6-16-10-9(12(13,14)17-6)15-4-18(10)11-8(21)7(20)5(3-19)22-11/h1,4-5,7-8,11,19-21H,3,14H2,(H,16,17)