2-(6-azanyl-6-chloranyl-2-ethynyl-2-oxidanyl-1,3-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-6-chloranyl-2-ethynyl-2-oxidanyl-1,3-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-6-chloro-2-ethynyl-2-hydroxy-1,3-dihydropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-amino-6-chloro-2-ethynyl-2-hydroxy-1,3-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-6-chloro-2-ethynyl-2-hydroxy-1,3-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-(6-amino-6-chloro-2-ethynyl-2-hydroxy-1,3-dihydropurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H16ClN5O5 MolecularWeight: 345.73894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN5O5/c1-2-11(22)16-9-8(12(13,14)17-11)15-4-18(9)10-7(21)6(20)5(3-19)23-10/h1,4-7,10,16-17,19-22H,3,14H2