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

Systemtic Name: 9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 9-pentyl-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [9-amyl-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C19H25N5S MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C1N=C(N=C2N)SCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=NC2=C1N=C(N=C2N)SCCCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5S/c1-2-3-7-12-24-14-21-16-17(20)22-19(23-18(16)24)25-13-8-11-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H2,20,22,23)