ethyl 4-[[5-[2-[(4-ethoxycarbonylphenyl)amino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-[2-[(4-ethoxycarbonylphenyl)amino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-[2-(4-ethoxycarbonylanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-[2-(4-ethoxycarbonylanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[2-(4-ethoxycarbonylanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[5-[2-(4-carbethoxyanilino)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C26H24N6O8 MolecularWeight: 548.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)C3=C(N=C(NC3=O)NC4=CC=C(C=C4)C(=O)OCC)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)C3=C(N=C(NC3=O)NC4=CC=C(C=C4)C(=O)OCC)O)O

InChI

InChI=1S/C26H24N6O8/c1-3-39-23(37)13-5-9-15(10-6-13)27-25-29-19(33)17(20(34)30-25)18-21(35)31-26(32-22(18)36)28-16-11-7-14(8-12-16)24(38)40-4-2/h5-12H,3-4H2,1-2H3,(H3,27,29,30,33,34)(H3,28,31,32,35,36)