tetrasodium [[[5-[5-[(E)-3-azanylprop-2-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: tetrasodium [[[5-[5-[(E)-3-azanylprop-2-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tetrasodium [[[5-[5-[(E)-3-aminoallyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: tetrasodium [[[5-[5-[(E)-3-aminoprop-2-enyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: tetrasodium [[[5-[5-[(E)-3-aminoprop-2-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: tetrasodium [[[5-[5-[(E)-3-aminoallyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C12H16N3Na4O14P3 MolecularWeight: 611.147503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)CC=CN)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)C/C=C/N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H20N3O14P3.4Na/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h1,3,5,8-10,16H,2,4,6,13H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21);;;;/q;4*+1/p-4/b3-1+;;;;