methyl 4-[bis(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate Openeye Name: methyl 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate CAS Name: 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate Traditional Name: 4-[bis(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]benzoic acid methyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(N=C(NC3=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(N=C(NC3=O)C)O)O

InChI

InChI=1S/C19H18N4O6/c1-8-20-15(24)13(16(25)21-8)12(14-17(26)22-9(2)23-18(14)27)10-4-6-11(7-5-10)19(28)29-3/h4-7,12H,1-3H3,(H2,20,21,24,25)(H2,22,23,26,27)