2-[[4-(3-azanyl-1-oxidanylidene-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(3-azanyl-1-oxidanylidene-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(3-amino-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-(3-amino-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(3-amino-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(3-amino-1-keto-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl)benzoyl]amino]glutaric acid Formula: C22H26N6O6 MolecularWeight: 470.47844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1CNC3=C2C(=O)N=C(N3)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC2C1CNC3=C2C(=O)N=C(N3)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)