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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S)-2-phenoxybutanoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] (2S)-2-phenoxybutanoate CAS Name: (2S)-2-phenoxybutanoic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (2S)-2-phenoxybutanoate Traditional Name: (2S)-2-phenoxybutyric acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C(CC)OC2=CC=CC=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)[C@H](CC)OC2=CC=CC=C2)N

InChI

InChI=1S/C19H23N3O6/c1-3-10-22-16(20)15(17(24)21-19(22)26)13(23)11-27-18(25)14(4-2)28-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11,20H2,1-2H3,(H,21,24,26)/t14-/m0/s1