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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)CCC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)CCC)N

InChI

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