4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methyl-pyrimidine dinitrate

Systemtic Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methyl-pyrimidine dinitrate Openeye Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methyl-pyrimidine dinitrate CAS Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methylpyrimidine dinitrate IUPAC Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methylpyrimidine dinitrate Traditional Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-methyl-pyrimidine dinitrate Formula: C25H22Cl2N6O9-2 MolecularWeight: 621.38298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C25H22Cl2N4O3.2NO3/c1-17-29-9-8-24(30-17)18-2-5-20(6-3-18)32-13-21-14-33-25(34-21,15-31-11-10-28-16-31)22-7-4-19(26)12-23(22)27;2*2-1(3)4/h2-12,16,21H,13-15H2,1H3;;/q;2*-1