2-[[4-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-keto-2-(methylamino)-1H-pteridin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CNC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N7O6/c1-21-20-26-16-15(18(31)27-20)24-12(9-23-16)8-22-11-4-2-10(3-5-11)17(30)25-13(19(32)33)6-7-14(28)29/h2-5,9,13,22H,6-8H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H2,21,23,26,27,31)