methyl 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoate Openeye Name: methyl 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoate CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoate Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzoic acid methyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

InChI

InChI=1S/C20H23N5O3/c1-27-19(26)14-7-9-15(10-8-14)23-20-24-17-16(21-12-22-17)18(25-20)28-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,21,22,23,24,25)