2-chloranyl-9-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C20H24ClN5O3/c1-27-14-8-12(9-15(28-2)17(14)29-3)10-22-18-16-19(25-20(21)24-18)26(11-23-16)13-6-4-5-7-13/h8-9,11,13H,4-7,10H2,1-3H3,(H,22,24,25)