[5-butyl-2,6-bis(oxidanylidene)-1,3-diazinan-1-yl] bis(phenylmethyl) phosphate

Systemtic Name: [5-butyl-2,6-bis(oxidanylidene)-1,3-diazinan-1-yl] bis(phenylmethyl) phosphate Openeye Name: dibenzyl (5-butyl-2,6-dioxo-hexahydropyrimidin-1-yl) phosphate CAS Name: phosphoric acid (5-butyl-2,6-dioxo-1,3-diazinan-1-yl) bis(phenylmethyl) ester IUPAC Name: dibenzyl (5-butyl-2,6-dioxo-1,3-diazinan-1-yl) phosphate Traditional Name: phosphoric acid dibenzyl (5-butyl-2,6-diketo-hexahydropyrimidin-1-yl) ester Formula: C22H27N2O6P MolecularWeight: 446.433341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNC(=O)N(C1=O)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1CNC(=O)N(C1=O)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N2O6P/c1-2-3-14-20-15-23-22(26)24(21(20)25)30-31(27,28-16-18-10-6-4-7-11-18)29-17-19-12-8-5-9-13-19/h4-13,20H,2-3,14-17H2,1H3,(H,23,26)