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

Systemtic Name: 8-(furan-2-yl)-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-(2-furyl)-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-(2-furanyl)-9-[(E)-hept-4-enyl]-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-(furan-2-yl)-9-[(E)-hept-4-enyl]-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [8-(2-furyl)-9-[(E)-hept-4-enyl]-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C25H29N5OS/c1-2-3-4-5-9-16-30-23(20-15-10-17-31-20)27-21-22(26)28-25(29-24(21)30)32-18-11-14-19-12-7-6-8-13-19/h3-4,6-8,10,12-13,15,17H,2,5,9,11,14,16,18H2,1H3,(H2,26,28,29)/b4-3+