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

Systemtic Name: 2-methoxy-3-(2-methoxy-7H-purin-8-yl)-6-methyl-benzenethiol Openeye Name: 2-methoxy-3-(2-methoxy-7H-purin-8-yl)-6-methyl-benzenethiol CAS Name: 2-methoxy-3-(2-methoxy-7H-purin-8-yl)-6-methylbenzenethiol IUPAC Name: 2-methoxy-3-(2-methoxy-7H-purin-8-yl)-6-methylbenzenethiol Traditional Name: 2-methoxy-3-(2-methoxy-7H-purin-8-yl)-6-methyl-benzenethiol Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-7-4-5-8(10(19-2)11(7)21)12-16-9-6-15-14(20-3)18-13(9)17-12/h4-6,21H,1-3H3,(H,15,16,17,18)