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

Systemtic Name: methyl 2-[3-[(6-azanyl-8-bromanyl-2-phenylmethoxy-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-benzyloxy-8-bromo-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-8-bromo-2-phenylmethoxy-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-8-bromo-2-phenylmethoxypurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-benzoxy-8-bromo-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C22H20BrN5O3/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/h2-10H,11-13H2,1H3,(H2,24,26,27)