[(2R,3S,4R,5R)-5-(8-azanylimidazo[4,5-g]quinazolin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(8-azanylimidazo[4,5-g]quinazolin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(8-amino-3-imidazo[4,5-g]quinazolinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C14H17N5O10P2 MolecularWeight: 477.259802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC3=C1N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N

Isomeric SMILES

C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N

InChI

InChI=1S/C14H17N5O10P2/c15-13-6-1-8-9(2-7(6)16-4-17-13)19(5-18-8)14-12(21)11(20)10(28-14)3-27-31(25,26)29-30(22,23)24/h1-2,4-5,10-12,14,20-21H,3H2,(H,25,26)(H2,15,16,17)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1