6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-4H-pyrimidin-2-one

Systemtic Name: 6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-4H-pyrimidin-2-one Openeye Name: 3-benzyl-6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-4H-pyrimidin-2-one CAS Name: 6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-4H-pyrimidin-2-one IUPAC Name: 3-benzyl-6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-4H-pyrimidin-2-one Traditional Name: 3-benzyl-6-diethoxyphosphoryl-4-methyl-1-(4-nitrophenyl)-4H-pyrimidin-2-one Formula: C22H26N3O6P MolecularWeight: 459.432101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC(N(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C)OCC

Isomeric SMILES

CCOP(=O)(C1=CC(N(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C)OCC

InChI

InChI=1S/C22H26N3O6P/c1-4-30-32(29,31-5-2)21-15-17(3)23(16-18-9-7-6-8-10-18)22(26)24(21)19-11-13-20(14-12-19)25(27)28/h6-15,17H,4-5,16H2,1-3H3