2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine

Systemtic Name: 2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine Openeye Name: 2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine CAS Name: 2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine IUPAC Name: 2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine Traditional Name: 2,4,6-tris(diethoxyphosphoryl)-5-nitro-1,4-dihydropyrimidine Formula: C16H32N3O11P3 MolecularWeight: 535.360063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C(=C(NC(=N1)P(=O)(OCC)OCC)P(=O)(OCC)OCC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C1C(=C(NC(=N1)P(=O)(OCC)OCC)P(=O)(OCC)OCC)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H32N3O11P3/c1-7-25-31(22,26-8-2)14-13(19(20)21)15(32(23,27-9-3)28-10-4)18-16(17-14)33(24,29-11-5)30-12-6/h14H,7-12H2,1-6H3,(H,17,18)