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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[(2R)-1-phenoxypropan-2-yl]purin-6-amine Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[(1R)-1-methyl-2-phenoxy-ethyl]purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[(2R)-1-phenoxypropan-2-yl]-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[(2R)-1-phenoxypropan-2-yl]purin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[(1R)-1-methyl-2-phenoxy-ethyl]purin-6-yl]amine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3/c1-18(16-34-20-8-4-3-5-9-20)26-30-24-25(28)29-17-32(27(24)31-26)15-19-12-13-22(33-2)23(14-19)35-21-10-6-7-11-21/h3-5,8-9,12-14,17-18,21H,6-7,10-11,15-16,28H2,1-2H3/t18-/m0/s1