bis(azanyl)methylidene-[2-[[2-oxidanylidene-3-[4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]azanium

Systemtic Name: bis(azanyl)methylidene-[2-[[2-oxidanylidene-3-[4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]azanium Openeye Name: diaminomethylene-[2-[[3-[4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]ammonium CAS Name: diaminomethylidene-[2-[[3-[4-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]ammonium IUPAC Name: diaminomethylidene-[2-[[3-[4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]azanium Traditional Name: diaminomethylene-[2-[[3-[4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-keto-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethyl]ammonium Formula: C18H24N6O9P+ MolecularWeight: 499.391721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C3C(=NC2=O)NC4=C(O3)C=CC=C4OCC[NH+]=C(N)N)COP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2C=C3C(=NC2=O)NC4=C(O3)C=CC=C4OCC[NH+]=C(N)N)COP(=O)(O)O)O

InChI

InChI=1S/C18H23N6O9P/c19-17(20)21-4-5-30-10-2-1-3-11-15(10)22-16-12(32-11)7-24(18(26)23-16)14-6-9(25)13(33-14)8-31-34(27,28)29/h1-3,7,9,13-14,25H,4-6,8H2,(H4,19,20,21)(H,22,23,26)(H2,27,28,29)/p+1