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

Systemtic Name: 9-phenethyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-phenethyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-phenethyl-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-phenethyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-phenethyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C22H23N5O3S/c1-28-16-11-15(12-17(29-2)19(16)30-3)31-22-26-18-20(23)24-13-25-21(18)27(22)10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25)