3-(6-chloranyl-7H-purin-8-yl)-2-methoxy-5-methyl-benzenethiol

Systemtic Name: 3-(6-chloranyl-7H-purin-8-yl)-2-methoxy-5-methyl-benzenethiol Openeye Name: 3-(6-chloro-7H-purin-8-yl)-2-methoxy-5-methyl-benzenethiol CAS Name: 3-(6-chloro-7H-purin-8-yl)-2-methoxy-5-methylbenzenethiol IUPAC Name: 3-(6-chloro-7H-purin-8-yl)-2-methoxy-5-methylbenzenethiol Traditional Name: 3-(6-chloro-7H-purin-8-yl)-2-methoxy-5-methyl-benzenethiol Formula: C13H11ClN4OS MolecularWeight: 306.77064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=NC3=C(N2)C(=NC=N3)Cl)OC)S

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=NC3=C(N2)C(=NC=N3)Cl)OC)S

InChI

InChI=1S/C13H11ClN4OS/c1-6-3-7(10(19-2)8(20)4-6)12-17-9-11(14)15-5-16-13(9)18-12/h3-5,20H,1-2H3,(H,15,16,17,18)