6-oxidanylidene-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 6-oxidanylidene-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 6-oxo-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 6-oxo-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 6-oxo-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 6-keto-3-[(6-phenyl-5,8-dihydropteridin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNC3=NC=NC(=C3N2)N=C4C=CC(=O)C(=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CNC3=NC=NC(=C3N2)N=C4C=CC(=O)C(=C4)S(=O)(=O)O

InChI

InChI=1S/C18H13N5O4S/c24-14-7-6-12(8-15(14)28(25,26)27)22-18-16-17(20-10-21-18)19-9-13(23-16)11-4-2-1-3-5-11/h1-10,23H,(H,19,20,21)(H,25,26,27)