2-ethynyl-5-[6-(1,3-thiazol-2-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-ethynyl-5-[6-(1,3-thiazol-2-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(thiazol-2-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(2-thiazolylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(1,3-thiazol-2-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(thiazol-2-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4=NC=CS4)O)O

Isomeric SMILES

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4=NC=CS4)O)O

InChI

InChI=1S/C14H12N6O3S/c1-2-7-9(21)10(22)13(23-7)20-6-18-8-11(16-5-17-12(8)20)19-14-15-3-4-24-14/h1,3-7,9-10,13,21-22H,(H,15,16,17,19)