8-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine

Systemtic Name: 8-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-ethyl-9-phenyl-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [8-ethyl-9-phenyl-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=CC=C3)N=C(N=C2N)SCCCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=CC=C3)N=C(N=C2N)SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5S/c1-2-18-24-19-20(23)25-22(28-15-9-12-16-10-5-3-6-11-16)26-21(19)27(18)17-13-7-4-8-14-17/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H2,23,25,26)