2-[[4-[2-(4-azanyl-2-oxidanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-(4-azanyl-2-oxidanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(4-amino-2-oxo-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(4-amino-2-oxo-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(4-amino-2-oxo-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(4-amino-2-keto-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CN=C3C2=C(NC(=O)N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CN=C3C2=C(NC(=O)N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N5O6/c21-16-15-12(9-22-17(15)25-20(31)24-16)6-3-10-1-4-11(5-2-10)18(28)23-13(19(29)30)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,29,30)(H4,21,22,24,25,31)