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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-veratryl-amine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OC

InChI

InChI=1S/C19H22ClN5O2/c1-26-14-8-7-12(9-15(14)27-2)10-21-17-16-18(24-19(20)23-17)25(11-22-16)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,21,23,24)