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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(OC1N2C=NC3=C2NC=NC3(N)Cl)CO)O)O

Isomeric SMILES

C#CC1(C(C(OC1N2C=NC3=C2NC=NC3(N)Cl)CO)O)O

InChI

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