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

Systemtic Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-phenethylsulfanyl-purin-6-amine Openeye Name: 9-(cyclohexylmethyl)-8-(2-furyl)-2-phenethylsulfanyl-purin-6-amine CAS Name: 9-(cyclohexylmethyl)-8-(2-furanyl)-2-(phenethylthio)-6-purinamine IUPAC Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-phenethylsulfanylpurin-6-amine Traditional Name: [9-(cyclohexylmethyl)-8-(2-furyl)-2-(phenethylthio)purin-6-yl]amine Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)SCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)SCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C24H27N5OS/c25-21-20-23(28-24(27-21)31-15-13-17-8-3-1-4-9-17)29(16-18-10-5-2-6-11-18)22(26-20)19-12-7-14-30-19/h1,3-4,7-9,12,14,18H,2,5-6,10-11,13,15-16H2,(H2,25,27,28)