3-(3-phenylpropyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 3-(3-phenylpropyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 3-(3-phenylpropyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 3-(3-phenylpropyl)-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 3-(3-phenylpropyl)-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [3-(3-phenylpropyl)-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N=CN(C3=N2)CCCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N=CN(C3=N2)CCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H25N5O3S/c1-29-17-12-16(13-18(30-2)20(17)31-3)32-23-26-19-21(24)25-14-28(22(19)27-23)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14H,7,10-11,24H2,1-3H3