3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[(2R)-1-(3-fluoranylphenoxy)propan-2-yl]purin-6-amine

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[(2R)-1-(3-fluoranylphenoxy)propan-2-yl]purin-6-amine Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[(1R)-2-(3-fluorophenoxy)-1-methyl-ethyl]purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[(2R)-1-(3-fluorophenoxy)propan-2-yl]purin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[(1R)-2-(3-fluorophenoxy)-1-methyl-ethyl]purin-6-yl]amine Formula: C27H30FN5O3 MolecularWeight: 491.557203

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC(=CC=C1)F)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

Isomeric SMILES

C[C@@H](COC1=CC(=CC=C1)F)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

InChI

InChI=1S/C27H30FN5O3/c1-17(15-35-21-9-5-6-19(28)13-21)26-31-24-25(29)30-16-33(27(24)32-26)14-18-10-11-22(34-2)23(12-18)36-20-7-3-4-8-20/h5-6,9-13,16-17,20H,3-4,7-8,14-15,29H2,1-2H3/t17-/m0/s1