methyl 2-[3-[[6-azanyl-8-bromanyl-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(cyclohexylmethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(cyclohexylmethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C22H26BrN5O3 MolecularWeight: 488.37754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4CCCCC4)N)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4CCCCC4)N)N=C2Br

InChI

InChI=1S/C22H26BrN5O3/c1-30-17(29)11-15-8-5-9-16(10-15)12-28-20-18(25-21(28)23)19(24)26-22(27-20)31-13-14-6-3-2-4-7-14/h5,8-10,14H,2-4,6-7,11-13H2,1H3,(H2,24,26,27)