1-(pyrimidin-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-(pyrimidin-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-(pyrimidin-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[(2-pyrimidinylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-(pyrimidin-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[(2-pyrimidylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=NC=CC=N3.Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=NC=CC=N3.Cl

InChI

InChI=1S/C14H15N3O2S.ClH/c18-12-6-9-2-5-15-11(10(9)7-13(12)19)8-20-14-16-3-1-4-17-14;/h1,3-4,6-7,11,15,18-19H,2,5,8H2;1H