2-[[4-[2-(2-azanyl-5-methyl-4-oxidanylidene-1,6-dihydropteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-(2-azanyl-5-methyl-4-oxidanylidene-1,6-dihydropteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(2-amino-5-methyl-4-oxo-1,6-dihydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(2-amino-5-methyl-4-oxo-1,6-dihydropteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(2-amino-5-methyl-4-oxo-1,6-dihydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(2-amino-4-keto-5-methyl-1,6-dihydropteridin-6-yl)ethylamino]benzoyl]amino]glutaric acid Formula: C21H25N7O6 MolecularWeight: 471.4665

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C=NC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN1C(C=NC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,10,13-14,23H,6-9H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H3,22,26,27,32)