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

Systemtic Name: 8-bromanyl-N-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-bromo-N-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-bromo-N-ethyl-9-phenyl-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-bromo-N-ethyl-9-phenyl-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [8-bromo-9-phenyl-2-(3-phenylpropylthio)purin-6-yl]-ethyl-amine Formula: C22H22BrN5S MolecularWeight: 468.41258

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)SCCCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H22BrN5S/c1-2-24-19-18-20(28(21(23)25-18)17-13-7-4-8-14-17)27-22(26-19)29-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H,24,26,27)