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

Systemtic Name: 8-(furan-2-yl)-9-(2-methylpropyl)-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 8-(2-furyl)-9-isobutyl-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-(2-furanyl)-9-(2-methylpropyl)-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 8-(furan-2-yl)-9-(2-methylpropyl)-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [8-(2-furyl)-9-isobutyl-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C22H25N5OS/c1-15(2)14-27-20(17-11-6-12-28-17)24-18-19(23)25-22(26-21(18)27)29-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15H,7,10,13-14H2,1-2H3,(H2,23,25,26)