8-(2,4-dimethoxyphenyl)sulfanyl-3-phenethyl-purin-6-amine

Systemtic Name: 8-(2,4-dimethoxyphenyl)sulfanyl-3-phenethyl-purin-6-amine Openeye Name: 8-(2,4-dimethoxyphenyl)sulfanyl-3-phenethyl-purin-6-amine CAS Name: 8-[(2,4-dimethoxyphenyl)thio]-3-phenethyl-6-purinamine IUPAC Name: 8-(2,4-dimethoxyphenyl)sulfanyl-3-phenethylpurin-6-amine Traditional Name: [8-[(2,4-dimethoxyphenyl)thio]-3-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(N=CN(C3=N2)CCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=NC3=C(N=CN(C3=N2)CCC4=CC=CC=C4)N)OC

InChI

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