8-(2,5-dimethoxyphenyl)sulfanyl-3-[(4-fluorophenyl)methyl]purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[(4-fluorophenyl)methyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[(4-fluorophenyl)methyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[(4-fluorophenyl)methyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[(4-fluorophenyl)methyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-(4-fluorobenzyl)purin-6-yl]amine Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CC4=CC=C(C=C4)F)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H18FN5O2S/c1-27-14-7-8-15(28-2)16(9-14)29-20-24-17-18(22)23-11-26(19(17)25-20)10-12-3-5-13(21)6-4-12/h3-9,11H,10,22H2,1-2H3