4-(6-methyl-9-oxidanylidene-1H-[1,3]oxazolo[3,2-a]purin-2-yl)benzenesulfonic acid

Systemtic Name: 4-(6-methyl-9-oxidanylidene-1H-[1,3]oxazolo[3,2-a]purin-2-yl)benzenesulfonic acid Openeye Name: 4-(6-methyl-9-oxo-1H-oxazolo[3,2-a]purin-2-yl)benzenesulfonic acid CAS Name: 4-(6-methyl-9-oxo-1H-oxazolo[3,2-a]purin-2-yl)benzenesulfonic acid IUPAC Name: 4-(6-methyl-9-oxo-1H-[1,3]oxazolo[3,2-a]purin-2-yl)benzenesulfonic acid Traditional Name: 4-(9-keto-6-methyl-1H-oxazolo[3,2-a]purin-2-yl)besylic acid Formula: C14H10N4O5S MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=O)C3=C(N=C(N3)C4=CC=C(C=C4)S(=O)(=O)O)N=C2O1

Isomeric SMILES

CC1=CN2C(=O)C3=C(N=C(N3)C4=CC=C(C=C4)S(=O)(=O)O)N=C2O1

InChI

InChI=1S/C14H10N4O5S/c1-7-6-18-13(19)10-12(17-14(18)23-7)16-11(15-10)8-2-4-9(5-3-8)24(20,21)22/h2-6H,1H3,(H,15,16)(H,20,21,22)