9-(2-fluoranylpropyl)-8-(furan-2-yl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 9-(2-fluoranylpropyl)-8-(furan-2-yl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 9-(2-fluoropropyl)-8-(2-furyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 9-(2-fluoropropyl)-8-(2-furanyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 9-(2-fluoropropyl)-8-(furan-2-yl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-(2-fluoropropyl)-8-(2-furyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C21H23FN6O MolecularWeight: 394.445323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4)F

InChI

InChI=1S/C21H23FN6O/c1-14(22)13-28-19(16-10-6-12-29-16)25-17-18(23)26-21(27-20(17)28)24-11-5-9-15-7-3-2-4-8-15/h2-4,6-8,10,12,14H,5,9,11,13H2,1H3,(H3,23,24,26,27)