[4-(3-cyano-5-methyl-phenyl)carbonyl-3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl dihydrogen phosphate

Systemtic Name: [4-(3-cyano-5-methyl-phenyl)carbonyl-3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl dihydrogen phosphate Openeye Name: [4-(3-cyano-5-methyl-benzoyl)-3-ethyl-5-isopropyl-2,6-dioxo-pyrimidin-1-yl]methyl dihydrogen phosphate CAS Name: [4-[(3-cyano-5-methylphenyl)-oxomethyl]-3-ethyl-2,6-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl dihydrogen phosphate IUPAC Name: [4-(3-cyano-5-methylbenzoyl)-3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl dihydrogen phosphate Traditional Name: [4-(3-cyano-5-methyl-benzoyl)-3-ethyl-5-isopropyl-2,6-diketo-pyrimidin-1-yl]methyl dihydrogen phosphate Formula: C19H22N3O7P MolecularWeight: 435.367641

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=O)COP(=O)(O)O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=O)COP(=O)(O)O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

InChI

InChI=1S/C19H22N3O7P/c1-5-21-16(17(23)14-7-12(4)6-13(8-14)9-20)15(11(2)3)18(24)22(19(21)25)10-29-30(26,27)28/h6-8,11H,5,10H2,1-4H3,(H2,26,27,28)