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

Systemtic Name: 6-chloranyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-purine Openeye Name: 6-chloro-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-purine CAS Name: 6-chloro-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-ylpurine IUPAC Name: 6-chloro-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-ylpurine Traditional Name: 6-chloro-3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-purine Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-13(2)20-24-18-19(22)23-12-26(21(18)25-20)11-14-8-9-16(27-3)17(10-14)28-15-6-4-5-7-15/h8-10,12-13,15H,4-7,11H2,1-3H3