5-(6-chloranylpurin-7-yl)-1,3-oxathiolane-2-carboxylate

Systemtic Name: 5-(6-chloranylpurin-7-yl)-1,3-oxathiolane-2-carboxylate Openeye Name: 5-(6-chloropurin-7-yl)-1,3-oxathiolane-2-carboxylate CAS Name: 5-(6-chloro-7-purinyl)-1,3-oxathiolane-2-carboxylate IUPAC Name: 5-(6-chloropurin-7-yl)-1,3-oxathiolane-2-carboxylate Traditional Name: 5-(6-chloropurin-7-yl)-1,3-oxathiolane-2-carboxylate Formula: C9H6ClN4O3S- MolecularWeight: 285.68694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)C(=O)[O-])N2C=NC3=C2C(=NC=N3)Cl

Isomeric SMILES

C1C(OC(S1)C(=O)[O-])N2C=NC3=C2C(=NC=N3)Cl

InChI

InChI=1S/C9H7ClN4O3S/c10-6-5-7(12-2-11-6)13-3-14(5)4-1-18-9(17-4)8(15)16/h2-4,9H,1H2,(H,15,16)/p-1