8-bromanyl-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine

Systemtic Name: 8-bromanyl-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-bromo-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-bromo-9-[(E)-hept-4-enyl]-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-bromo-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [8-bromo-9-[(E)-hept-4-enyl]-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C21H26BrN5S MolecularWeight: 460.43364

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C21H26BrN5S/c1-2-3-4-5-9-14-27-19-17(24-20(27)22)18(23)25-21(26-19)28-15-10-13-16-11-7-6-8-12-16/h3-4,6-8,11-12H,2,5,9-10,13-15H2,1H3,(H2,23,25,26)/b4-3+