ditert-butyl [(1S,2S,5R)-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-bicyclo[3.1.0]hex-3-enyl]methyl phosphate

Systemtic Name: ditert-butyl [(1S,2S,5R)-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-bicyclo[3.1.0]hex-3-enyl]methyl phosphate Openeye Name: ditert-butyl [(1S,2S,5R)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-5-bicyclo[3.1.0]hex-3-enyl]methyl phosphate CAS Name: phosphoric acid ditert-butyl [(1S,2S,5R)-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-5-bicyclo[3.1.0]hex-3-enyl]methyl ester IUPAC Name: ditert-butyl [(1S,2S,5R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-bicyclo[3.1.0]hex-3-enyl]methyl phosphate Traditional Name: phosphoric acid ditert-butyl [(1S,2S,5R)-2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-5-bicyclo[3.1.0]hex-3-enyl]methyl ester Formula: C20H31N2O6P MolecularWeight: 426.443701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C=CC3(C2C3)COP(=O)(OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@]3([C@@H]2C3)COP(=O)(OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C20H31N2O6P/c1-13-11-22(17(24)21-16(13)23)15-8-9-20(10-14(15)20)12-26-29(25,27-18(2,3)4)28-19(5,6)7/h8-9,11,14-15H,10,12H2,1-7H3,(H,21,23,24)/t14-,15+,20-/m1/s1