2-[[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-1,3-thiazol-4-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-1,3-thiazol-4-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[2-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]thiazole-4-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[2-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-4-thiazolyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[2-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]thiazole-4-carbonyl]amino]glutaric acid Formula: C16H16N8O6S MolecularWeight: 448.41324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)CNC3=NC(=CS3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C2C(=N1)NC(=NC2=O)N)CNC3=NC(=CS3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H16N8O6S/c17-15-23-11-10(13(28)24-15)20-6(3-18-11)4-19-16-22-8(5-31-16)12(27)21-7(14(29)30)1-2-9(25)26/h3,5,7H,1-2,4H2,(H,19,22)(H,21,27)(H,25,26)(H,29,30)(H3,17,18,23,24,28)