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

Systemtic Name: 2-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-purin-6-yl]ethanamine Openeye Name: 2-[3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-purin-6-yl]ethanamine CAS Name: 2-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-6-purinyl]ethanamine IUPAC Name: 2-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-ylpurin-6-yl]ethanamine Traditional Name: 2-[3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-purin-6-yl]ethylamine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)CCN

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)CCN

InChI

InChI=1S/C23H31N5O2/c1-15(2)22-26-21-18(10-11-24)25-14-28(23(21)27-22)13-16-8-9-19(29-3)20(12-16)30-17-6-4-5-7-17/h8-9,12,14-15,17H,4-7,10-11,13,24H2,1-3H3