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

Systemtic Name: 2-[[4-[[1-methyl-2-(methylamino)-4-oxidanylidene-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[1-methyl-2-(methylamino)-4-oxo-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[1-methyl-2-(methylamino)-4-oxo-6-pteridinyl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[1-methyl-2-(methylamino)-4-oxopteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-keto-1-methyl-2-(methylamino)pteridin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C21H23N7O6 MolecularWeight: 469.45062

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=NC(=CN=C2N1C)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CNC1=NC(=O)C2=NC(=CN=C2N1C)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H23N7O6/c1-22-21-27-19(32)16-17(28(21)2)24-10-13(25-16)9-23-12-5-3-11(4-6-12)18(31)26-14(20(33)34)7-8-15(29)30/h3-6,10,14,23H,7-9H2,1-2H3,(H,26,31)(H,29,30)(H,33,34)(H,22,27,32)