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

Systemtic Name: 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethenyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)vinyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethenyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethenyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(2-amino-4-keto-1H-pteridin-6-yl)vinyl]benzoyl]amino]glutaric acid Formula: C20H18N6O6 MolecularWeight: 438.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H18N6O6/c21-20-25-16-15(18(30)26-20)23-12(9-22-16)6-3-10-1-4-11(5-2-10)17(29)24-13(19(31)32)7-8-14(27)28/h1-6,9,13H,7-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,22,25,26,30)