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

Systemtic Name: 5-(6-chloranylpurin-7-yl)-2-ethyl-1,3-oxathiolane-2-carboxylate Openeye Name: 5-(6-chloropurin-7-yl)-2-ethyl-1,3-oxathiolane-2-carboxylate CAS Name: 5-(6-chloro-7-purinyl)-2-ethyl-1,3-oxathiolane-2-carboxylate IUPAC Name: 5-(6-chloropurin-7-yl)-2-ethyl-1,3-oxathiolane-2-carboxylate Traditional Name: 5-(6-chloropurin-7-yl)-2-ethyl-1,3-oxathiolane-2-carboxylate Formula: C11H10ClN4O3S- MolecularWeight: 313.7401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC(CS1)N2C=NC3=C2C(=NC=N3)Cl)C(=O)[O-]

Isomeric SMILES

CCC1(OC(CS1)N2C=NC3=C2C(=NC=N3)Cl)C(=O)[O-]

InChI

InChI=1S/C11H11ClN4O3S/c1-2-11(10(17)18)19-6(3-20-11)16-5-15-9-7(16)8(12)13-4-14-9/h4-6H,2-3H2,1H3,(H,17,18)/p-1