4-azanyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]-1-(phenylcarbonyl)pyrimidin-2-one

Systemtic Name: 4-azanyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]-1-(phenylcarbonyl)pyrimidin-2-one Openeye Name: 4-amino-1-benzoyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]pyrimidin-2-one CAS Name: 4-amino-1-benzoyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]-2-pyrimidinone IUPAC Name: 4-amino-1-benzoyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]pyrimidin-2-one Traditional Name: 4-amino-1-benzoyl-5-[(E)-4-diethoxyphosphorylbut-3-enoxy]pyrimidin-2-one Formula: C19H24N3O6P MolecularWeight: 421.384121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCCOC1=CN(C(=O)N=C1N)C(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CCOC1=CN(C(=O)N=C1N)C(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C19H24N3O6P/c1-3-27-29(25,28-4-2)13-9-8-12-26-16-14-22(19(24)21-17(16)20)18(23)15-10-6-5-7-11-15/h5-7,9-11,13-14H,3-4,8,12H2,1-2H3,(H2,20,21,24)/b13-9+