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

Systemtic Name: 2-methoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol Openeye Name: 2-methoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol CAS Name: 2-methoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol IUPAC Name: 2-methoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol Traditional Name: 2-methoxy-6-methyl-3-(7H-purin-8-yl)benzenethiol Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=NC3=NC=NC=C3N2)OC)S

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NC3=NC=NC=C3N2)OC)S

InChI

InChI=1S/C13H12N4OS/c1-7-3-4-8(10(18-2)11(7)19)12-16-9-5-14-6-15-13(9)17-12/h3-6,19H,1-2H3,(H,14,15,16,17)