[5-(6-chloranylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-chloranylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-chloropurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-chloro-9-purinyl)-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-chloropurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-chloropurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H13ClN4O9P2 MolecularWeight: 430.632142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C10H13ClN4O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,16,17,18)(H2,19,20,21)