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

Systemtic Name: methyl 2-[3-[(6-azanyl-2-phenylmethoxy-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-benzyloxy-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-phenylmethoxy-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-phenylmethoxypurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-benzoxy-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/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/h2-10,14H,11-13H2,1H3,(H2,23,25,26)