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

Systemtic Name: 8-(furan-2-yl)-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-(2-furyl)-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-(2-furanyl)-9-pentyl-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-(furan-2-yl)-9-pentyl-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [9-amyl-8-(2-furyl)-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C23H27N5OS/c1-2-3-7-14-28-21(18-13-8-15-29-18)25-19-20(24)26-23(27-22(19)28)30-16-9-12-17-10-5-4-6-11-17/h4-6,8,10-11,13,15H,2-3,7,9,12,14,16H2,1H3,(H2,24,26,27)