2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride

Systemtic Name: 2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride Openeye Name: 2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride CAS Name: 2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride IUPAC Name: 2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride Traditional Name: 2-ethoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol hydrochloride Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1S)C)C2=NC3=NC=NC=C3N2.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1S)C)C2=NC3=NC=NC=C3N2.Cl

InChI

InChI=1S/C14H14N4OS.ClH/c1-3-19-11-9(5-4-8(2)12(11)20)13-17-10-6-15-7-16-14(10)18-13;/h4-7,20H,3H2,1-2H3,(H,15,16,17,18);1H