[[(2R,3S,4R,5R)-5-[5-azanylidene-4-[bis(azanyl)methylidene]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[5-azanylidene-4-[bis(azanyl)methylidene]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-[4-(diaminomethylene)-5-imino-imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-[4-(diaminomethylidene)-5-imino-1-imidazolyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-[4-(diaminomethylidene)-5-iminoimidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-[4-(diaminomethylene)-5-imino-2-imidazolin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H18N5O13P3 MolecularWeight: 497.186203

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N)N)C(=N)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=NC(=C(N)N)C(=N)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C9H18N5O13P3/c10-7(11)4-8(12)14(2-13-4)9-6(16)5(15)3(25-9)1-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5-6,9,12,15-16H,1,10-11H2,(H,20,21)(H,22,23)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1