[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C19H23N3O6/c1-4-5-10-27-14-8-6-13(7-9-14)18(24)28-12-15(23)20-19-21-16(25-2)11-17(22-19)26-3/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,21,22,23)