methyl 2-[3-[[6-azanyl-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCC4CCCCC4

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCC4CCCCC4

InChI

InChI=1S/C22H27N5O3/c1-29-18(28)11-16-8-5-9-17(10-16)12-27-14-24-19-20(23)25-22(26-21(19)27)30-13-15-6-3-2-4-7-15/h5,8-10,14-15H,2-4,6-7,11-13H2,1H3,(H2,23,25,26)