2-[6-azanyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-9-yl]-1-(2,4-dichlorophenyl)ethanol

Systemtic Name: 2-[6-azanyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-9-yl]-1-(2,4-dichlorophenyl)ethanol Openeye Name: 2-[6-amino-8-(2,5-dimethoxyphenyl)sulfanyl-purin-9-yl]-1-(2,4-dichlorophenyl)ethanol CAS Name: 2-[6-amino-8-[(2,5-dimethoxyphenyl)thio]-9-purinyl]-1-(2,4-dichlorophenyl)ethanol IUPAC Name: 2-[6-amino-8-(2,5-dimethoxyphenyl)sulfanylpurin-9-yl]-1-(2,4-dichlorophenyl)ethanol Traditional Name: 2-[6-amino-8-[(2,5-dimethoxyphenyl)thio]purin-9-yl]-1-(2,4-dichlorophenyl)ethanol Formula: C21H19Cl2N5O3S MolecularWeight: 492.37826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC(C4=C(C=C(C=C4)Cl)Cl)O)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC(C4=C(C=C(C=C4)Cl)Cl)O)N=CN=C3N

InChI

InChI=1S/C21H19Cl2N5O3S/c1-30-12-4-6-16(31-2)17(8-12)32-21-27-18-19(24)25-10-26-20(18)28(21)9-15(29)13-5-3-11(22)7-14(13)23/h3-8,10,15,29H,9H2,1-2H3,(H2,24,25,26)