9-(2-fluoranylpropyl)-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine

Systemtic Name: 9-(2-fluoranylpropyl)-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 9-(2-fluoropropyl)-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: 9-(2-fluoropropyl)-8-(2-furanyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 9-(2-fluoropropyl)-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [9-(2-fluoropropyl)-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4)F

InChI

InChI=1S/C21H22FN5O2/c1-14(22)13-27-19(16-10-6-11-28-16)24-17-18(23)25-21(26-20(17)27)29-12-5-9-15-7-3-2-4-8-15/h2-4,6-8,10-11,14H,5,9,12-13H2,1H3,(H2,23,25,26)