2-[[5-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]thiophene-2-carbonyl]amino]glutaric acid Formula: C17H17N7O6S MolecularWeight: 447.42518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H17N7O6S/c18-17-23-13-12(15(28)24-17)21-7(6-20-13)5-19-10-3-2-9(31-10)14(27)22-8(16(29)30)1-4-11(25)26/h2-3,6,8,19H,1,4-5H2,(H,22,27)(H,25,26)(H,29,30)(H3,18,20,23,24,28)