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

Systemtic Name: (2S)-2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1CCCCC2=C(NC(=NC2=O)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N5O6/c21-16-13(18(29)25-20(22)24-16)4-2-1-3-11-5-7-12(8-6-11)17(28)23-14(19(30)31)9-10-15(26)27/h5-8,14H,1-4,9-10H2,(H,23,28)(H,26,27)(H,30,31)(H5,21,22,24,25,29)/t14-/m0/s1