(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-sulfooxybenzoate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-sulfooxybenzoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-sulfooxybenzoate CAS Name: 2-sulfooxybenzoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-sulfooxybenzoate Traditional Name: 2-sulfoxybenzoic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C14H11N5O7S MolecularWeight: 393.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)OS(=O)(=O)O

InChI

InChI=1S/C14H11N5O7S/c15-14-18-11-10(12(20)19-14)17-7(5-16-11)6-25-13(21)8-3-1-2-4-9(8)26-27(22,23)24/h1-5H,6H2,(H,22,23,24)(H3,15,16,18,19,20)