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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-benzamidopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-benzamido-9-purinyl)-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-benzamidopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-benzamidopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C17H19N5O10P2 MolecularWeight: 515.307782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C17H19N5O10P2/c23-17(10-4-2-1-3-5-10)21-15-14-16(19-8-18-15)22(9-20-14)13-6-11(32-34(27,28)29)12(31-13)7-30-33(24,25)26/h1-5,8-9,11-13H,6-7H2,(H2,24,25,26)(H2,27,28,29)(H,18,19,21,23)