8-bromanyl-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine

Systemtic Name: 8-bromanyl-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-bromo-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-bromo-9-pentyl-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-bromo-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [9-amyl-8-bromo-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C19H24BrN5S MolecularWeight: 434.39636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C19H24BrN5S/c1-2-3-7-12-25-17-15(22-18(25)20)16(21)23-19(24-17)26-13-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H2,21,23,24)