[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S)-2-phenoxybutanoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S)-2-phenoxybutanoate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] (2S)-2-phenoxybutanoate CAS Name: (2S)-2-phenoxybutanoic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2S)-2-phenoxybutanoate Traditional Name: (2S)-2-phenoxybutyric acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C(CC)OC2=CC=CC=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@H](CC)OC2=CC=CC=C2)N

InChI

InChI=1S/C20H25N3O6/c1-4-11-23-17(21)16(18(25)22(3)20(23)27)14(24)12-28-19(26)15(5-2)29-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12,21H2,1-3H3/t15-/m0/s1