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

Systemtic Name: 8-bromanyl-9-(2-fluoranylpropyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-(2-fluoropropyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-(2-fluoropropyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-(2-fluoropropyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(2-fluoropropyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C17H20BrFN6 MolecularWeight: 407.283303

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br)F

InChI

InChI=1S/C17H20BrFN6/c1-11(19)10-25-15-13(22-16(25)18)14(20)23-17(24-15)21-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H3,20,21,23,24)