2-[[4-[4-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[4-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[4-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid Formula: C20H24N4O7 MolecularWeight: 432.42716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC2=C(N=C(NC2=O)N)O)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCC2=C(N=C(NC2=O)N)O)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N4O7/c21-20-23-17(28)13(18(29)24-20)4-2-1-3-11-5-7-12(8-6-11)16(27)22-14(19(30)31)9-10-15(25)26/h5-8,14H,1-4,9-10H2,(H,22,27)(H,25,26)(H,30,31)(H4,21,23,24,28,29)