3-(2-cyclopentyl-2-phenyl-ethyl)-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 3-(2-cyclopentyl-2-phenyl-ethyl)-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 3-(2-cyclopentyl-2-phenyl-ethyl)-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 3-(2-cyclopentyl-2-phenylethyl)-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 3-(2-cyclopentyl-2-phenylethyl)-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [3-(2-cyclopentyl-2-phenyl-ethyl)-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CC(C4CCCC4)C5=CC=CC=C5)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CC(C4CCCC4)C5=CC=CC=C5)N

InChI

InChI=1S/C26H29N5O2S/c1-32-19-12-13-21(33-2)22(14-19)34-26-29-23-24(27)28-16-31(25(23)30-26)15-20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,12-14,16,18,20H,6-7,10-11,15,27H2,1-2H3