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

Systemtic Name: 8-[1-(4-chloranylphenoxy)-2-methyl-propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-6-amine Openeye Name: 8-[2-(4-chlorophenoxy)-1,1-dimethyl-ethyl]-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine CAS Name: 8-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 8-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-6-amine Traditional Name: [8-[2-(4-chlorophenoxy)-1,1-dimethyl-ethyl]-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]amine Formula: C28H32ClN5O3 MolecularWeight: 522.03838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClN5O3/c1-28(2,16-36-20-11-9-19(29)10-12-20)27-32-24-25(30)31-17-34(26(24)33-27)15-18-8-13-22(35-3)23(14-18)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3