2-[4-[[2-(aminocarbonylamino)-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-(aminocarbonylamino)-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-butyl-4-oxo-2-ureido-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-butyl-2-(carbamoylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-butyl-2-(carbamoylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-butyl-4-keto-2-ureido-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H24N4O4/c1-2-3-8-19-18(20(28)26-23(25-19)27-22(24)31)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21(29)30/h4-7,9-12H,2-3,8,13H2,1H3,(H,29,30)(H4,24,25,26,27,28,31)