8-(furan-2-yl)-2-phenethylsulfanyl-9-prop-2-enyl-purin-6-amine

Systemtic Name: 8-(furan-2-yl)-2-phenethylsulfanyl-9-prop-2-enyl-purin-6-amine Openeye Name: 9-allyl-8-(2-furyl)-2-phenethylsulfanyl-purin-6-amine CAS Name: 8-(2-furanyl)-2-(phenethylthio)-9-prop-2-enyl-6-purinamine IUPAC Name: 8-(furan-2-yl)-2-phenethylsulfanyl-9-prop-2-enylpurin-6-amine Traditional Name: [9-allyl-8-(2-furyl)-2-(phenethylthio)purin-6-yl]amine Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C20H19N5OS/c1-2-11-25-18(15-9-6-12-26-15)22-16-17(21)23-20(24-19(16)25)27-13-10-14-7-4-3-5-8-14/h2-9,12H,1,10-11,13H2,(H2,21,23,24)