[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic 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] 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)COC2=CC=CC=C2C(C)(C)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)COC2=CC=CC=C2C(C)(C)C)N

InChI

InChI=1S/C21H27N3O6/c1-5-10-24-18(22)17(19(27)23-20(24)28)14(25)11-30-16(26)12-29-15-9-7-6-8-13(15)21(2,3)4/h6-9H,5,10-12,22H2,1-4H3,(H,23,27,28)