1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(1,2,5-thiadiazol-3-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)COC3=NSN=C3

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)COC3=NSN=C3

InChI

InChI=1S/C12H13N3O3S/c16-10-3-7-1-2-13-9(8(7)4-11(10)17)6-18-12-5-14-19-15-12/h3-5,9,13,16-17H,1-2,6H2