[[(2R,3S)-5-(6-azanylidene-3-methyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S)-5-(6-azanylidene-3-methyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-3-methyl-purin-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate CAS Name: [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-3-methyl-9-purinyl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate IUPAC Name: [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-3-methylpurin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Traditional Name: [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-3-methyl-purin-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Formula: C11H18N5O12P3 MolecularWeight: 505.208203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=N)C2=C1N(C=N2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CN1C=NC(=N)C2=C1N(C=N2)C3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C11H18N5O12P3/c1-15-4-14-10(12)9-11(15)16(5-13-9)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-8,12,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t6-,7+,8?/m0/s1