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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)purin-6-amine Openeye Name: 8-(2-benzyloxy-1-methyl-ethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)purin-6-amine Traditional Name: [8-(2-benzoxy-1-methyl-ethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]amine Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

Isomeric SMILES

CC(COCC1=CC=CC=C1)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

InChI

InChI=1S/C28H33N5O3/c1-19(16-35-17-20-8-4-3-5-9-20)27-31-25-26(29)30-18-33(28(25)32-27)15-21-12-13-23(34-2)24(14-21)36-22-10-6-7-11-22/h3-5,8-9,12-14,18-19,22H,6-7,10-11,15-17,29H2,1-2H3