N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-9-(oxolan-2-yl)purin-6-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-9-(oxolan-2-yl)purin-6-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-9-tetrahydrofuran-2-yl-purin-6-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-9-(2-oxolanyl)-6-purinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-9-(oxolan-2-yl)purin-6-amine Traditional Name: homoveratryl-[2-(methylthio)-9-(tetrahydrofuryl)purin-6-yl]amine Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4CCCO4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4CCCO4)SC)OC

InChI

InChI=1S/C20H25N5O3S/c1-26-14-7-6-13(11-15(14)27-2)8-9-21-18-17-19(24-20(23-18)29-3)25(12-22-17)16-5-4-10-28-16/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,21,23,24)