8-ethyl-2-phenethylsulfanyl-9-phenyl-purin-6-amine

Systemtic Name: 8-ethyl-2-phenethylsulfanyl-9-phenyl-purin-6-amine Openeye Name: 8-ethyl-2-phenethylsulfanyl-9-phenyl-purin-6-amine CAS Name: 8-ethyl-2-(phenethylthio)-9-phenyl-6-purinamine IUPAC Name: 8-ethyl-2-phenethylsulfanyl-9-phenylpurin-6-amine Traditional Name: [8-ethyl-2-(phenethylthio)-9-phenyl-purin-6-yl]amine Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=CC=C3)N=C(N=C2N)SCCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=CC=C3)N=C(N=C2N)SCCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5S/c1-2-17-23-18-19(22)24-21(27-14-13-15-9-5-3-6-10-15)25-20(18)26(17)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,22,24,25)