2-[[4-[(2-azanyl-6,7-dimethyl-pteridin-4-yl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-6,7-dimethyl-pteridin-4-yl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-6,7-dimethyl-pteridin-4-yl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-6,7-dimethyl-4-pteridinyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-6,7-dimethylpteridin-4-yl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-6,7-dimethyl-pteridin-4-yl)amino]benzoyl]amino]glutaric acid Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=C1C)N=C(N=C2NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC1=NC2=C(N=C1C)N=C(N=C2NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C20H21N7O5/c1-9-10(2)23-16-15(22-9)17(27-20(21)26-16)24-12-5-3-11(4-6-12)18(30)25-13(19(31)32)7-8-14(28)29/h3-6,13H,7-8H2,1-2H3,(H,25,30)(H,28,29)(H,31,32)(H3,21,23,24,26,27)