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8-(2,4-dimethoxyphenyl)sulfanyl-9-phenethyl-purin-6-amine

8-(2,4-dimethoxyphenyl)sulfanyl-9-phenethyl-purin-6-amine

Systemtic Name:8-(2,4-dimethoxyphenyl)sulfanyl-9-phenethyl-purin-6-amine
Openeye Name:8-(2,4-dimethoxyphenyl)sulfanyl-9-phenethyl-purin-6-amine
CAS Name:8-[(2,4-dimethoxyphenyl)thio]-9-phenethyl-6-purinamine
IUPAC Name:8-(2,4-dimethoxyphenyl)sulfanyl-9-phenethylpurin-6-amine
Traditional Name:[8-[(2,4-dimethoxyphenyl)thio]-9-phenethyl-purin-6-yl]amine
Formula: C21H21N5O2S
MolecularWeight: 407.48874
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OC


Isomeric SMILES

COC1=CC(=C(C=C1)SC2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OC


InChI

InChI=1S/C21H21N5O2S/c1-27-15-8-9-17(16(12-15)28-2)29-21-25-18-19(22)23-13-24-20(18)26(21)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24)


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